CN(C)C=CC=O
CAS: 927-63-9
Name: 3-(dimethylamino)prop-2-enal
SMILES: CN(C)C=CC=O

Molecular Processing

Molecular formula
C5H9NO
Molecular weight
99.13
Exact mass
99.0684
XLogP
0.26
TPSA
20.31
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
7
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
28.89

Supplementary Information

InChIKey: RRLMPLDPCKRASL-UHFFFAOYSA-N
Synonyme
DTXSID0013085223-(Dimethylamino)-2-propenalRefChem:1067098DTXCID0017384263-Dimethylaminoacrolein5MVV69JD7Z927-63-93-(Dimethylamino)acrylaldehyde3-dimethylamino-propenal3-(dimethylamino)prop-2-enal(E)-3-(Dimethylamino)acrolein3-dimethylaminopropenal3-dimethylaminoacroleine3-(Dimethylamino)-acroleinSCHEMBL376769SCHEMBL2353484SCHEMBL282149983-dimethylaminoprop-2-en-1-oneRRLMPLDPCKRASL-UHFFFAOYSA-NSB85335DB-057329DB-357073D4092F870414
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