[1-(4-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone

C19H19NO2 — CID 110357637

IUPAC[1-(4-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone
SMILESCc1ccc(C(=O)N2CCCC2C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H19NO2/c1-14-9-11-16(12-10-14)19(22)20-13-5-8-17(20)18(21)15-6-3-2-4-7-15/h2-4,6-7,9-12,17H,5,8,13H2,1H3
InChIKeyPVHUIDSQXMTUKW-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.48
Rot. Bonds3

About [1-(4-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone

[1-(4-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone (PubChem CID 110357637) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is [1-(4-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(4-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone
PubChem CID110357637
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name[1-(4-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone
SMILESCc1ccc(C(=O)N2CCCC2C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H19NO2/c1-14-9-11-16(12-10-14)19(22)20-13-5-8-17(20)18(21)15-6-3-2-4-7-15/h2-4,6-7,9-12,17H,5,8,13H2,1H3
InChIKeyPVHUIDSQXMTUKW-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-(3-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357636
[1-(4-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357643
[1-(4-methoxybenzoyl)pyrrolidin-2-yl]-(4-methylphenyl)methanone
CID 110394976
(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 92668343
[(2S)-1-[(2S)-2-benzoylpyrrolidine-1-carbonyl]pyrrolidin-2-yl]-phenylmethanone
CID 176902068
[1-(3-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357642
(2S)-1-benzoylpyrrolidine-2-carboxylate
CID 6988238
[1-(2-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357641
methyl (2R)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylate
CID 833629
N-cyclopentyl-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide
CID 53015958
(2-benzoylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110394860
ethyl 2-[1-(4-methylbenzoyl)pyrrolidin-2-yl]-2-oxoacetate
CID 54261417

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone?
The IUPAC name of [1-(4-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone (CID 110357637) is [1-(4-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone.
What is the SMILES notation for [1-(4-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone?
The canonical SMILES for [1-(4-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone is Cc1ccc(C(=O)N2CCCC2C(=O)c2ccccc2)cc1.
What is the InChIKey of [1-(4-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone?
The InChIKey is PVHUIDSQXMTUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-14-9-11-16(12-10-14)19(22)20-13-5-8-17(20)18(21)15-6-3-2-4-7-15/h2-4,6-7,9-12,17H,5,8,13H2,1H3.
What are the key properties of [1-(4-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone?
[1-(4-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-(4-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone is sourced from PubChem (CID 110357637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).