2-(1-benzylpyrrolidin-2-yl)-1-phenylethanone

C19H21NO — CID 122375252

IUPAC2-(1-benzylpyrrolidin-2-yl)-1-phenylethanone
SMILESO=C(CC1CCCN1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO/c21-19(17-10-5-2-6-11-17)14-18-12-7-13-20(18)15-16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15H2
InChIKeyJYGPAMJQZXHGGZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.92
Rot. Bonds5

About 2-(1-benzylpyrrolidin-2-yl)-1-phenylethanone

2-(1-benzylpyrrolidin-2-yl)-1-phenylethanone (PubChem CID 122375252) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(1-benzylpyrrolidin-2-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(1-benzylpyrrolidin-2-yl)-1-phenylethanone
PubChem CID122375252
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name2-(1-benzylpyrrolidin-2-yl)-1-phenylethanone
SMILESO=C(CC1CCCN1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO/c21-19(17-10-5-2-6-11-17)14-18-12-7-13-20(18)15-16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15H2
InChIKeyJYGPAMJQZXHGGZ-UHFFFAOYSA-N
XLogP3.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2R)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanone
CID 97320662
3-[[(2S)-2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolidin-1-yl]methyl]benzamide
CID 97011036
2-[(2S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanone
CID 97320679
2-[(2R)-1-benzylazepan-2-yl]-1-thiophen-2-ylethanone
CID 99978766
2-[(2S)-1-benzylazetidin-2-yl]acetic acid
CID 118703240
benzyl (2S)-2-phenacylpyrrolidine-1-carboxylate
CID 164675638
2-(1-benzylpiperidin-2-yl)ethanethioamide
CID 18940971
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
N-[(1-benzylpyrrolidin-2-yl)methyl]-N-methylcarbamoyl chloride
CID 82379734
2-(1-benzylpyrrolidin-2-yl)ethanol;ethane
CID 142002278
1-[1-(2-phenylethyl)pyrrolidin-2-yl]propan-2-one
CID 79546481
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine
CID 94499350

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpyrrolidin-2-yl)-1-phenylethanone?
The IUPAC name of 2-(1-benzylpyrrolidin-2-yl)-1-phenylethanone (CID 122375252) is 2-(1-benzylpyrrolidin-2-yl)-1-phenylethanone.
What is the SMILES notation for 2-(1-benzylpyrrolidin-2-yl)-1-phenylethanone?
The canonical SMILES for 2-(1-benzylpyrrolidin-2-yl)-1-phenylethanone is O=C(CC1CCCN1Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(1-benzylpyrrolidin-2-yl)-1-phenylethanone?
The InChIKey is JYGPAMJQZXHGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c21-19(17-10-5-2-6-11-17)14-18-12-7-13-20(18)15-16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15H2.
What are the key properties of 2-(1-benzylpyrrolidin-2-yl)-1-phenylethanone?
2-(1-benzylpyrrolidin-2-yl)-1-phenylethanone has a molecular weight of 279.38 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpyrrolidin-2-yl)-1-phenylethanone is sourced from PubChem (CID 122375252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).