1-(4-methoxyphenyl)-4-methylidene-5-oxo-2-phenylpyrrolidine-2-carbonitrile

C19H16N2O2 — CID 57328295

IUPAC1-(4-methoxyphenyl)-4-methylidene-5-oxo-2-phenylpyrrolidine-2-carbonitrile
SMILESC=C1CC(C#N)(c2ccccc2)N(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C19H16N2O2/c1-14-12-19(13-20,15-6-4-3-5-7-15)21(18(14)22)16-8-10-17(23-2)11-9-16/h3-11H,1,12H2,2H3
InChIKeyUYUHGGAYVBOQBS-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.41
Rot. Bonds3

About 1-(4-methoxyphenyl)-4-methylidene-5-oxo-2-phenylpyrrolidine-2-carbonitrile

1-(4-methoxyphenyl)-4-methylidene-5-oxo-2-phenylpyrrolidine-2-carbonitrile (PubChem CID 57328295) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-methylidene-5-oxo-2-phenylpyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-methylidene-5-oxo-2-phenylpyrrolidine-2-carbonitrile
PubChem CID57328295
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name1-(4-methoxyphenyl)-4-methylidene-5-oxo-2-phenylpyrrolidine-2-carbonitrile
SMILESC=C1CC(C#N)(c2ccccc2)N(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C19H16N2O2/c1-14-12-19(13-20,15-6-4-3-5-7-15)21(18(14)22)16-8-10-17(23-2)11-9-16/h3-11H,1,12H2,2H3
InChIKeyUYUHGGAYVBOQBS-UHFFFAOYSA-N
XLogP3.41
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromophenyl)-1-(4-methoxyphenyl)-4-methylidene-5-oxopyrrolidine-2-carbonitrile
CID 57328366
(2S)-2-(4-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carbonitrile
CID 938010
methyl (3R,5R)-5-cyano-1-(4-methoxyphenyl)-5-phenylpyrrolidine-3-carboxylate
CID 139093421
(2R)-1-(4-methoxyphenyl)-5-oxo-2-(2-phenylmethoxyphenyl)pyrrolidine-2-carbonitrile
CID 1214293
1,3-bis(4-methoxyphenyl)-5,5-diphenylimidazolidine-2,4-dione
CID 135011161
[(2R)-2-cyano-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl] acetate
CID 101042375
(2S,3S)-1-(1,3-dioxoisoindol-2-yl)-3-(4-methoxyphenyl)-2-phenylaziridine-2-carbonitrile
CID 132563057
(3S)-3-(4-methoxyanilino)-2-(4-methoxyphenyl)-3-phenylisoindol-1-one
CID 41022145
cis-(1S,2S)-2-(4-methoxyphenyl)-1-phenylcyclopropane-1-carbonitrile
CID 135020770
(5S)-5-hydroxy-6-(4-methoxyphenyl)-5-phenylpyrrolo[3,4-b]pyridin-7-one
CID 99864604
(2R)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-4-oxo-2-phenylazetidine-2-carboxamide
CID 7693726
2-[4-(4-methoxyphenyl)phenyl]isoindole-1,3-dione
CID 123891314

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-methylidene-5-oxo-2-phenylpyrrolidine-2-carbonitrile?
The IUPAC name of 1-(4-methoxyphenyl)-4-methylidene-5-oxo-2-phenylpyrrolidine-2-carbonitrile (CID 57328295) is 1-(4-methoxyphenyl)-4-methylidene-5-oxo-2-phenylpyrrolidine-2-carbonitrile.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-methylidene-5-oxo-2-phenylpyrrolidine-2-carbonitrile?
The canonical SMILES for 1-(4-methoxyphenyl)-4-methylidene-5-oxo-2-phenylpyrrolidine-2-carbonitrile is C=C1CC(C#N)(c2ccccc2)N(c2ccc(OC)cc2)C1=O.
What is the InChIKey of 1-(4-methoxyphenyl)-4-methylidene-5-oxo-2-phenylpyrrolidine-2-carbonitrile?
The InChIKey is UYUHGGAYVBOQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-14-12-19(13-20,15-6-4-3-5-7-15)21(18(14)22)16-8-10-17(23-2)11-9-16/h3-11H,1,12H2,2H3.
What are the key properties of 1-(4-methoxyphenyl)-4-methylidene-5-oxo-2-phenylpyrrolidine-2-carbonitrile?
1-(4-methoxyphenyl)-4-methylidene-5-oxo-2-phenylpyrrolidine-2-carbonitrile has a molecular weight of 304.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-methylidene-5-oxo-2-phenylpyrrolidine-2-carbonitrile is sourced from PubChem (CID 57328295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).