(2-benzylpyrrolidin-2-yl)-phenylmethanone

C18H19NO — CID 594890

IUPAC(2-benzylpyrrolidin-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)C1(Cc2ccccc2)CCCN1
InChIInChI=1S/C18H19NO/c20-17(16-10-5-2-6-11-16)18(12-7-13-19-18)14-15-8-3-1-4-9-15/h1-6,8-11,19H,7,12-14H2
InChIKeySLNOOUVFQRLQAI-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.23
Rot. Bonds4

About (2-benzylpyrrolidin-2-yl)-phenylmethanone

(2-benzylpyrrolidin-2-yl)-phenylmethanone (PubChem CID 594890) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (2-benzylpyrrolidin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-benzylpyrrolidin-2-yl)-phenylmethanone
PubChem CID594890
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(2-benzylpyrrolidin-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)C1(Cc2ccccc2)CCCN1
InChIInChI=1S/C18H19NO/c20-17(16-10-5-2-6-11-16)18(12-7-13-19-18)14-15-8-3-1-4-9-15/h1-6,8-11,19H,7,12-14H2
InChIKeySLNOOUVFQRLQAI-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethylpyrrolidin-2-yl)-phenylmethanone
CID 116608161
[(2R)-2-benzylpyrrolidin-2-yl]-(1H-indol-5-yl)methanone
CID 59744730
ethyl 2-benzylpyrrolidine-2-carboxylate
CID 75525875
(2R)-2-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 2761830
(2-ethylpyrrolidin-2-yl)-(3-propylphenyl)methanone
CID 116608201
2-benzoylpyrrolidine-2-carboxylic acid
CID 70416090
(2R)-2-(3-phenylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 45026916
(2-ethylpyrrolidin-2-yl)-(4-methylphenyl)methanone
CID 116608082
methyl (3R)-3-acetyloxy-2-[(2-benzylpyrrolidine-2-carbonyl)amino]butanoate
CID 138627975
(2-ethylpyrrolidin-2-yl)-(4-propylphenyl)methanone
CID 116608056
(2S)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 46741252
(2S)-2-[(4-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 2761877

Frequently Asked Questions

What is the IUPAC name of (2-benzylpyrrolidin-2-yl)-phenylmethanone?
The IUPAC name of (2-benzylpyrrolidin-2-yl)-phenylmethanone (CID 594890) is (2-benzylpyrrolidin-2-yl)-phenylmethanone.
What is the SMILES notation for (2-benzylpyrrolidin-2-yl)-phenylmethanone?
The canonical SMILES for (2-benzylpyrrolidin-2-yl)-phenylmethanone is O=C(c1ccccc1)C1(Cc2ccccc2)CCCN1.
What is the InChIKey of (2-benzylpyrrolidin-2-yl)-phenylmethanone?
The InChIKey is SLNOOUVFQRLQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c20-17(16-10-5-2-6-11-16)18(12-7-13-19-18)14-15-8-3-1-4-9-15/h1-6,8-11,19H,7,12-14H2.
What are the key properties of (2-benzylpyrrolidin-2-yl)-phenylmethanone?
(2-benzylpyrrolidin-2-yl)-phenylmethanone has a molecular weight of 265.36 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylpyrrolidin-2-yl)-phenylmethanone is sourced from PubChem (CID 594890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).