4-methyl-2-(2-oxopyrrolidin-1-yl)-5-phenyl-1H-pyrrole-3-carbonitrile

C16H15N3O — CID 15871296

IUPAC4-methyl-2-(2-oxopyrrolidin-1-yl)-5-phenyl-1H-pyrrole-3-carbonitrile
SMILESCc1c(-c2ccccc2)[nH]c(N2CCCC2=O)c1C#N
InChIInChI=1S/C16H15N3O/c1-11-13(10-17)16(19-9-5-8-14(19)20)18-15(11)12-6-3-2-4-7-12/h2-4,6-7,18H,5,8-9H2,1H3
InChIKeyPGAUTYJGTYNXGH-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.99
Rot. Bonds2

About 4-methyl-2-(2-oxopyrrolidin-1-yl)-5-phenyl-1H-pyrrole-3-carbonitrile

4-methyl-2-(2-oxopyrrolidin-1-yl)-5-phenyl-1H-pyrrole-3-carbonitrile (PubChem CID 15871296) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-methyl-2-(2-oxopyrrolidin-1-yl)-5-phenyl-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-(2-oxopyrrolidin-1-yl)-5-phenyl-1H-pyrrole-3-carbonitrile
PubChem CID15871296
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name4-methyl-2-(2-oxopyrrolidin-1-yl)-5-phenyl-1H-pyrrole-3-carbonitrile
SMILESCc1c(-c2ccccc2)[nH]c(N2CCCC2=O)c1C#N
InChIInChI=1S/C16H15N3O/c1-11-13(10-17)16(19-9-5-8-14(19)20)18-15(11)12-6-3-2-4-7-12/h2-4,6-7,18H,5,8-9H2,1H3
InChIKeyPGAUTYJGTYNXGH-UHFFFAOYSA-N
XLogP2.99
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-5-phenyl-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile
CID 14144309
4-methyl-5-pyridin-3-yl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile
CID 59930320
4-methyl-2-(methylamino)-5-phenyl-1H-pyrrole-3-carbonitrile
CID 15871301
2-(4-methylphenyl)-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile
CID 12550717
2-methyl-3-oxo-5-phenyl-1H-pyrazole-4-carbonitrile
CID 15145032
2-methyl-3-[1-(2-oxopyrrolidin-1-yl)ethyl]indolizine-1-carbonitrile
CID 50915931
1-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]pyrrolidin-2-one
CID 10974504
1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-one
CID 4792115
1-(4-methylphenyl)-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
CID 15026822
1-(3-iodo-2-methylphenyl)pyrrolidin-2-one
CID 130498002
2-amino-4-oxo-6-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 135566498
1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 69199779

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-oxopyrrolidin-1-yl)-5-phenyl-1H-pyrrole-3-carbonitrile?
The IUPAC name of 4-methyl-2-(2-oxopyrrolidin-1-yl)-5-phenyl-1H-pyrrole-3-carbonitrile (CID 15871296) is 4-methyl-2-(2-oxopyrrolidin-1-yl)-5-phenyl-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 4-methyl-2-(2-oxopyrrolidin-1-yl)-5-phenyl-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 4-methyl-2-(2-oxopyrrolidin-1-yl)-5-phenyl-1H-pyrrole-3-carbonitrile is Cc1c(-c2ccccc2)[nH]c(N2CCCC2=O)c1C#N.
What is the InChIKey of 4-methyl-2-(2-oxopyrrolidin-1-yl)-5-phenyl-1H-pyrrole-3-carbonitrile?
The InChIKey is PGAUTYJGTYNXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-13(10-17)16(19-9-5-8-14(19)20)18-15(11)12-6-3-2-4-7-12/h2-4,6-7,18H,5,8-9H2,1H3.
What are the key properties of 4-methyl-2-(2-oxopyrrolidin-1-yl)-5-phenyl-1H-pyrrole-3-carbonitrile?
4-methyl-2-(2-oxopyrrolidin-1-yl)-5-phenyl-1H-pyrrole-3-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-oxopyrrolidin-1-yl)-5-phenyl-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 15871296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).