C1=CC=C(C=C1)C2=CC(=CN2)C=O
CAS: 56448-22-7
Name: 5-phenyl-1H-pyrrole-3-carbaldehyde
SMILES: C1=CC=C(C=C1)C2=CC(=CN2)C=O

Molecular Processing

Molecular formula
C11H9NO
Molecular weight
171.2
Exact mass
171.0684
XLogP
2.49
TPSA
32.86
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
13
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0
Molar refractivity
51.62

Supplementary Information

InChIKey: CXRIBBUJKKGAGS-UHFFFAOYSA-N
Synonyms
56448-22-75-Phenyl-1H-pyrrole-3-carboxaldehydeU82ZBS5YBKRefChem:10732245-phenyl-1H-pyrrole-3-carbaldehyde2-phenyl-4-formylpyrroleMFCD118758291H-Pyrrole-3-carboxaldehyde, 5-phenyl-5-Phenylpyrrole-3-carbaldehydeVonoprazan Impurity ZSCHEMBL1156563CXRIBBUJKKGAGS-UHFFFAOYSA-NGCA44822SB62407AS-78571SY059221DB-124059CS-0148813F694817
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Involved in 80 reactions→

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