1-(5-phenyl-2-pyrrolidin-1-yl-1H-pyrrol-3-yl)ethanone

C16H18N2O — CID 880528

IUPAC1-(5-phenyl-2-pyrrolidin-1-yl-1H-pyrrol-3-yl)ethanone
SMILESCC(=O)c1cc(-c2ccccc2)[nH]c1N1CCCC1
InChIInChI=1S/C16H18N2O/c1-12(19)14-11-15(13-7-3-2-4-8-13)17-16(14)18-9-5-6-10-18/h2-4,7-8,11,17H,5-6,9-10H2,1H3
InChIKeyJETWUXIPMDOAEK-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.48
Rot. Bonds3

About 1-(5-phenyl-2-pyrrolidin-1-yl-1H-pyrrol-3-yl)ethanone

1-(5-phenyl-2-pyrrolidin-1-yl-1H-pyrrol-3-yl)ethanone (PubChem CID 880528) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(5-phenyl-2-pyrrolidin-1-yl-1H-pyrrol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-phenyl-2-pyrrolidin-1-yl-1H-pyrrol-3-yl)ethanone
PubChem CID880528
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-(5-phenyl-2-pyrrolidin-1-yl-1H-pyrrol-3-yl)ethanone
SMILESCC(=O)c1cc(-c2ccccc2)[nH]c1N1CCCC1
InChIInChI=1S/C16H18N2O/c1-12(19)14-11-15(13-7-3-2-4-8-13)17-16(14)18-9-5-6-10-18/h2-4,7-8,11,17H,5-6,9-10H2,1H3
InChIKeyJETWUXIPMDOAEK-UHFFFAOYSA-N
XLogP3.48
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrrolo-pyrimidone, 12
CID 135524115
Pyrrolo-pyrimidone, 13
CID 135524133
1-[2-(4-morpholinyl)-5-phenyl-1H-pyrrol-3-yl]ethanone
CID 3237586
3-Benzyl-7-methyl-[1,8]naphthyridin-4-ol
CID 15557795
3-[3-acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]-N-(6-methylpyridin-2-yl)propanamide
CID 5067062
1,3-Dimethyl-6-phenyl-1,7-dihydro-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 44285952
1H-Pyrrolo(2,3-d)pyrimidine-2,4(3H,7H)-dione, 5-butyl-3,6-dimethyl-1-phenyl-
CID 3041229
2-Amino-3-carbamoyl-4-methyl-5-phenylpyrrole
CID 15871299
N-(3-acetyl-5-phenyl-1H-pyrrol-2-yl)acetamide
CID 747773
N-(3-benzoyl-5-phenyl-1H-pyrrol-2-yl)benzamide
CID 1224765
2-Amino-6-phenethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135479891
N-(3-acetyl-5-phenyl-1H-pyrrol-2-yl)benzamide
CID 2834001

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-2-pyrrolidin-1-yl-1H-pyrrol-3-yl)ethanone?
The IUPAC name of 1-(5-phenyl-2-pyrrolidin-1-yl-1H-pyrrol-3-yl)ethanone (CID 880528) is 1-(5-phenyl-2-pyrrolidin-1-yl-1H-pyrrol-3-yl)ethanone.
What is the SMILES notation for 1-(5-phenyl-2-pyrrolidin-1-yl-1H-pyrrol-3-yl)ethanone?
The canonical SMILES for 1-(5-phenyl-2-pyrrolidin-1-yl-1H-pyrrol-3-yl)ethanone is CC(=O)c1cc(-c2ccccc2)[nH]c1N1CCCC1.
What is the InChIKey of 1-(5-phenyl-2-pyrrolidin-1-yl-1H-pyrrol-3-yl)ethanone?
The InChIKey is JETWUXIPMDOAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12(19)14-11-15(13-7-3-2-4-8-13)17-16(14)18-9-5-6-10-18/h2-4,7-8,11,17H,5-6,9-10H2,1H3.
What are the key properties of 1-(5-phenyl-2-pyrrolidin-1-yl-1H-pyrrol-3-yl)ethanone?
1-(5-phenyl-2-pyrrolidin-1-yl-1H-pyrrol-3-yl)ethanone has a molecular weight of 254.33 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-2-pyrrolidin-1-yl-1H-pyrrol-3-yl)ethanone is sourced from PubChem (CID 880528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).