[(2S)-2-methylpyrrolidin-1-yl]-(4-phenylphenyl)methanone

C18H19NO — CID 174598087

IUPAC[(2S)-2-methylpyrrolidin-1-yl]-(4-phenylphenyl)methanone
SMILESC[C@H]1CCCN1C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19NO/c1-14-6-5-13-19(14)18(20)17-11-9-16(10-12-17)15-7-3-2-4-8-15/h2-4,7-12,14H,5-6,13H2,1H3/t14-/m0/s1
InChIKeyNKGJLLFDLQJWGQ-AWEZNQCLSA-N
MW265.36 g/mol
LogP3.98
Rot. Bonds2

About [(2S)-2-methylpyrrolidin-1-yl]-(4-phenylphenyl)methanone

[(2S)-2-methylpyrrolidin-1-yl]-(4-phenylphenyl)methanone (PubChem CID 174598087) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is [(2S)-2-methylpyrrolidin-1-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[(2S)-2-methylpyrrolidin-1-yl]-(4-phenylphenyl)methanone
PubChem CID174598087
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name[(2S)-2-methylpyrrolidin-1-yl]-(4-phenylphenyl)methanone
SMILESC[C@H]1CCCN1C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19NO/c1-14-6-5-13-19(14)18(20)17-11-9-16(10-12-17)15-7-3-2-4-8-15/h2-4,7-12,14H,5-6,13H2,1H3/t14-/m0/s1
InChIKeyNKGJLLFDLQJWGQ-AWEZNQCLSA-N
XLogP3.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 2532732
(2-methylpiperidin-1-yl)-[4-(2-phenylethynyl)phenyl]methanone
CID 24640330
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 79027798
methyl (2R)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylate
CID 833629
(2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone
CID 69401759
[4-[4-(3-chloropropoxy)phenyl]phenyl]-(2-methylpyrrolidin-1-yl)methanone
CID 18354764
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 90585651
N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487
[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 62170939
2-methyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 23823514
[5-(4-methylphenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
CID 10446398

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methylpyrrolidin-1-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [(2S)-2-methylpyrrolidin-1-yl]-(4-phenylphenyl)methanone (CID 174598087) is [(2S)-2-methylpyrrolidin-1-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [(2S)-2-methylpyrrolidin-1-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [(2S)-2-methylpyrrolidin-1-yl]-(4-phenylphenyl)methanone is C[C@H]1CCCN1C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [(2S)-2-methylpyrrolidin-1-yl]-(4-phenylphenyl)methanone?
The InChIKey is NKGJLLFDLQJWGQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19NO/c1-14-6-5-13-19(14)18(20)17-11-9-16(10-12-17)15-7-3-2-4-8-15/h2-4,7-12,14H,5-6,13H2,1H3/t14-/m0/s1.
What are the key properties of [(2S)-2-methylpyrrolidin-1-yl]-(4-phenylphenyl)methanone?
[(2S)-2-methylpyrrolidin-1-yl]-(4-phenylphenyl)methanone has a molecular weight of 265.36 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methylpyrrolidin-1-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 174598087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).