C1CC(C1)C#N
CAS: 4426-11-3
Name: cyclobutanecarbonitrile
SMILES: C1CC(C1)C#N

Molecular Processing

Molecular formula
C5H7N
Molecular weight
81.12
Exact mass
81.0578
XLogP
1.31
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
6
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
22.95

Supplementary Information

InChIKey: GFBLFDSCAKHHGX-UHFFFAOYSA-N
Synonyme
CyclobutanecarbonitrileCyanocyclobutane4426-11-3Cyclobutyl cyanideDTXSID30196086EINECS 224-606-1RefChem:129048DTXCID40118577224-606-1GFBLFDSCAKHHGX-UHFFFAOYSA-NInChI=1/C5H7N/c6-4-5-2-1-3-5/h5H,1-3HMFCD00013735cyclobutancarbonitrilecyclobutane carbonitrileSCHEMBL60867SCHEMBL663411SCHEMBL2540638SCHEMBL2726886SCHEMBL8382035SCHEMBL21827283SCHEMBL21828227cyclobutanecarbonitrile, AldrichCPRSBB068300AKOS009158004SB11491DB-012710CS-0007644NS00048644EN300-40035F003562
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