(1-benzyl-3,3-dimethylpyrrolidin-2-yl)-phenylmethanone

C20H23NO — CID 42599284

IUPAC(1-benzyl-3,3-dimethylpyrrolidin-2-yl)-phenylmethanone
SMILESCC1(C)CCN(Cc2ccccc2)C1C(=O)c1ccccc1
InChIInChI=1S/C20H23NO/c1-20(2)13-14-21(15-16-9-5-3-6-10-16)19(20)18(22)17-11-7-4-8-12-17/h3-12,19H,13-15H2,1-2H3
InChIKeyVXIGKLOGUFJCNQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.17
Rot. Bonds4

About (1-benzyl-3,3-dimethylpyrrolidin-2-yl)-phenylmethanone

(1-benzyl-3,3-dimethylpyrrolidin-2-yl)-phenylmethanone (PubChem CID 42599284) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (1-benzyl-3,3-dimethylpyrrolidin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(1-benzyl-3,3-dimethylpyrrolidin-2-yl)-phenylmethanone
PubChem CID42599284
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(1-benzyl-3,3-dimethylpyrrolidin-2-yl)-phenylmethanone
SMILESCC1(C)CCN(Cc2ccccc2)C1C(=O)c1ccccc1
InChIInChI=1S/C20H23NO/c1-20(2)13-14-21(15-16-9-5-3-6-10-16)19(20)18(22)17-11-7-4-8-12-17/h3-12,19H,13-15H2,1-2H3
InChIKeyVXIGKLOGUFJCNQ-UHFFFAOYSA-N
XLogP4.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1-benzyl-3,3-dimethylpyrrolidin-2-yl)-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-benzyl-3,3-dimethylaziridin-2-yl]-phenylmethanone
CID 101178309
(1S,5R,6S,9R)-2-benzyl-5-methyl-2-azabicyclo[3.3.1]nonane-6,9-diol
CID 134834620
(2S,3S)-1-benzyl-2,3-dimethylazetidin-3-ol
CID 10774084
1-benzyl-3-tert-butyl-2-methylpyrrolidin-3-ol
CID 130546283
[(3S,4R)-1-benzyl-4-(4-fluorophenyl)-4-hydroxypiperidin-3-yl]-(4-fluorophenyl)methanone
CID 22860804
methyl 2-benzyl-7-oxo-2-azaspiro[4.5]decane-1-carboxylate
CID 14814823
1-benzyl-4,4-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1,6-naphthyridine
CID 83488647
(4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone
CID 10803751
1-benzyl-4,4-dimethylpyrrolidine-3-carboxylic acid
CID 5081554
5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 67355077
[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-phenylmethanone
CID 69456850
1-benzyl-3,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid
CID 134349532

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-3,3-dimethylpyrrolidin-2-yl)-phenylmethanone?
The IUPAC name of (1-benzyl-3,3-dimethylpyrrolidin-2-yl)-phenylmethanone (CID 42599284) is (1-benzyl-3,3-dimethylpyrrolidin-2-yl)-phenylmethanone.
What is the SMILES notation for (1-benzyl-3,3-dimethylpyrrolidin-2-yl)-phenylmethanone?
The canonical SMILES for (1-benzyl-3,3-dimethylpyrrolidin-2-yl)-phenylmethanone is CC1(C)CCN(Cc2ccccc2)C1C(=O)c1ccccc1.
What is the InChIKey of (1-benzyl-3,3-dimethylpyrrolidin-2-yl)-phenylmethanone?
The InChIKey is VXIGKLOGUFJCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-20(2)13-14-21(15-16-9-5-3-6-10-16)19(20)18(22)17-11-7-4-8-12-17/h3-12,19H,13-15H2,1-2H3.
What are the key properties of (1-benzyl-3,3-dimethylpyrrolidin-2-yl)-phenylmethanone?
(1-benzyl-3,3-dimethylpyrrolidin-2-yl)-phenylmethanone has a molecular weight of 293.41 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-3,3-dimethylpyrrolidin-2-yl)-phenylmethanone is sourced from PubChem (CID 42599284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).