4-(4-phenylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid

C17H15NO2 — CID 169091419

IUPAC4-(4-phenylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)C1CC(c2ccc(-c3ccccc3)cc2)=CN1
InChIInChI=1S/C17H15NO2/c19-17(20)16-10-15(11-18-16)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,11,16,18H,10H2,(H,19,20)
InChIKeyVPUSGOYZOGZLPF-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.14
Rot. Bonds3

About 4-(4-phenylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid

4-(4-phenylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid (PubChem CID 169091419) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-(4-phenylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-phenylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid
PubChem CID169091419
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name4-(4-phenylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)C1CC(c2ccc(-c3ccccc3)cc2)=CN1
InChIInChI=1S/C17H15NO2/c19-17(20)16-10-15(11-18-16)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,11,16,18H,10H2,(H,19,20)
InChIKeyVPUSGOYZOGZLPF-UHFFFAOYSA-N
XLogP3.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-phenyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid
CID 13387957
ethyl 4-(4-pyridin-2-ylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate
CID 169091392
4-formyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid
CID 126622989
1,2,3,6-tetrahydroazepino[4,5-b]indole-2,5-dicarboxylic acid
CID 66768541
(2S)-4-[(E)-prop-1-enyl]-2,3-dihydro-1H-pyrrole-2-carboxylic acid
CID 146037169
4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 53398298
bicyclo[2.2.0]hexa-1,3,5-triene;pyrrolidine-2-carboxylic acid
CID 70124841
4-(4-phenylbenzoyl)oxypyrrolidine-2-carboxylic acid
CID 163270771
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
diphenylmethanone;5-oxopyrrolidine-2-carboxylic acid
CID 174442978
bis(1,1'-biphenyl);carbonate
CID 23514328
argon;1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 158312958

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-(4-phenylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid (CID 169091419) is 4-(4-phenylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(4-phenylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(4-phenylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid is O=C(O)C1CC(c2ccc(-c3ccccc3)cc2)=CN1.
What is the InChIKey of 4-(4-phenylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid?
The InChIKey is VPUSGOYZOGZLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c19-17(20)16-10-15(11-18-16)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,11,16,18H,10H2,(H,19,20).
What are the key properties of 4-(4-phenylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid?
4-(4-phenylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 169091419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).