(4-benzoyl-1-methylpyrrolidin-3-yl)-phenylmethanone

C19H19NO2 — CID 4269490

IUPAC(4-benzoyl-1-methylpyrrolidin-3-yl)-phenylmethanone
SMILESCN1CC(C(=O)c2ccccc2)C(C(=O)c2ccccc2)C1
InChIInChI=1S/C19H19NO2/c1-20-12-16(18(21)14-8-4-2-5-9-14)17(13-20)19(22)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3
InChIKeyWWXHATMUSYQHED-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.93
Rot. Bonds4

About (4-benzoyl-1-methylpyrrolidin-3-yl)-phenylmethanone

(4-benzoyl-1-methylpyrrolidin-3-yl)-phenylmethanone (PubChem CID 4269490) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (4-benzoyl-1-methylpyrrolidin-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-benzoyl-1-methylpyrrolidin-3-yl)-phenylmethanone
PubChem CID4269490
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(4-benzoyl-1-methylpyrrolidin-3-yl)-phenylmethanone
SMILESCN1CC(C(=O)c2ccccc2)C(C(=O)c2ccccc2)C1
InChIInChI=1S/C19H19NO2/c1-20-12-16(18(21)14-8-4-2-5-9-14)17(13-20)19(22)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3
InChIKeyWWXHATMUSYQHED-UHFFFAOYSA-N
XLogP2.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-benzoyl-1-methylpyrrolidine-3-carboxylate
CID 3738299
[(3R,4S)-1-methyl-4-(4-methylbenzoyl)pyrrolidin-3-yl]-(4-methylphenyl)methanone
CID 1481126
[(3R,4S)-4-(4-chlorobenzoyl)-1-methylpyrrolidin-3-yl]-(4-chlorophenyl)methanone
CID 1484785
[(3S,4S)-4-benzoyl-1-phenylpyrrolidin-3-yl]-phenylmethanone
CID 1481130
[(3R,5R)-5-benzoyl-4-(3-chloro-2-methylphenyl)-1-methylpiperidin-3-yl]-phenylmethanone
CID 87729558
[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
CID 12564065
(5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl)-phenylmethanone;(5-benzoyl-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone;dimethyl 1-benzyl-4-phenylpiperidine-3,5-dicarboxylate
CID 87726084
trans-(1S,2S)-2-benzoylcyclopropane-1-carboxylic acid
CID 899673
[(3S,5R)-5-benzoyl-1-hydroxy-4-phenylpiperidin-3-yl]-phenylmethanone
CID 23267945
benzoic acid;1,4-dimethylpiperazine
CID 166460840
(1S,6R)-6-benzoyl-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 744231
(2-methylcyclohexyl)-phenylmethanone
CID 13148606

Frequently Asked Questions

What is the IUPAC name of (4-benzoyl-1-methylpyrrolidin-3-yl)-phenylmethanone?
The IUPAC name of (4-benzoyl-1-methylpyrrolidin-3-yl)-phenylmethanone (CID 4269490) is (4-benzoyl-1-methylpyrrolidin-3-yl)-phenylmethanone.
What is the SMILES notation for (4-benzoyl-1-methylpyrrolidin-3-yl)-phenylmethanone?
The canonical SMILES for (4-benzoyl-1-methylpyrrolidin-3-yl)-phenylmethanone is CN1CC(C(=O)c2ccccc2)C(C(=O)c2ccccc2)C1.
What is the InChIKey of (4-benzoyl-1-methylpyrrolidin-3-yl)-phenylmethanone?
The InChIKey is WWXHATMUSYQHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-20-12-16(18(21)14-8-4-2-5-9-14)17(13-20)19(22)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3.
What are the key properties of (4-benzoyl-1-methylpyrrolidin-3-yl)-phenylmethanone?
(4-benzoyl-1-methylpyrrolidin-3-yl)-phenylmethanone has a molecular weight of 293.37 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoyl-1-methylpyrrolidin-3-yl)-phenylmethanone is sourced from PubChem (CID 4269490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).