[1-(3-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone

C19H19NO2 — CID 110357636

IUPAC[1-(3-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone
SMILESCc1cccc(C(=O)N2CCCC2C(=O)c2ccccc2)c1
InChIInChI=1S/C19H19NO2/c1-14-7-5-10-16(13-14)19(22)20-12-6-11-17(20)18(21)15-8-3-2-4-9-15/h2-5,7-10,13,17H,6,11-12H2,1H3
InChIKeyVGSLGGSTWMDKMR-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.48
Rot. Bonds3

About [1-(3-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone

[1-(3-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone (PubChem CID 110357636) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is [1-(3-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(3-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone
PubChem CID110357636
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name[1-(3-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone
SMILESCc1cccc(C(=O)N2CCCC2C(=O)c2ccccc2)c1
InChIInChI=1S/C19H19NO2/c1-14-7-5-10-16(13-14)19(22)20-12-6-11-17(20)18(21)15-8-3-2-4-9-15/h2-5,7-10,13,17H,6,11-12H2,1H3
InChIKeyVGSLGGSTWMDKMR-UHFFFAOYSA-N
XLogP3.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357637
[1-(3-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357642
methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate
CID 51076028
(2R,3R)-2-methyl-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 122114653
(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918
[1-(4-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357643
[(2S)-1-[(2S)-2-benzoylpyrrolidine-1-carbonyl]pyrrolidin-2-yl]-phenylmethanone
CID 176902068
N-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide
CID 46747298
(2R)-N-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide
CID 92666052
nonyl 1-(3-methylbenzoyl)pyrrolidine-2-carboxylate
CID 91710725
[1-(2-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357641
(2-benzoylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110394860

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone?
The IUPAC name of [1-(3-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone (CID 110357636) is [1-(3-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone.
What is the SMILES notation for [1-(3-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone?
The canonical SMILES for [1-(3-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone is Cc1cccc(C(=O)N2CCCC2C(=O)c2ccccc2)c1.
What is the InChIKey of [1-(3-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone?
The InChIKey is VGSLGGSTWMDKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-14-7-5-10-16(13-14)19(22)20-12-6-11-17(20)18(21)15-8-3-2-4-9-15/h2-5,7-10,13,17H,6,11-12H2,1H3.
What are the key properties of [1-(3-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone?
[1-(3-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone has a molecular weight of 293.37 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone is sourced from PubChem (CID 110357636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).