(4S)-1-methyl-4-phenylpyrrolidin-2-one

C11H13NO — CID 67575934

IUPAC(4S)-1-methyl-4-phenylpyrrolidin-2-one
SMILESCN1C[C@H](c2ccccc2)CC1=O
InChIInChI=1S/C11H13NO/c1-12-8-10(7-11(12)13)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-/m1/s1
InChIKeyNJSMSOSBMMZSSB-SNVBAGLBSA-N
MW175.23 g/mol
LogP1.63
Rot. Bonds1

About (4S)-1-methyl-4-phenylpyrrolidin-2-one

(4S)-1-methyl-4-phenylpyrrolidin-2-one (PubChem CID 67575934) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (4S)-1-methyl-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-methyl-4-phenylpyrrolidin-2-one
PubChem CID67575934
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(4S)-1-methyl-4-phenylpyrrolidin-2-one
SMILESCN1C[C@H](c2ccccc2)CC1=O
InChIInChI=1S/C11H13NO/c1-12-8-10(7-11(12)13)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-/m1/s1
InChIKeyNJSMSOSBMMZSSB-SNVBAGLBSA-N
XLogP1.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-(4-methylphenyl)pyrrolidin-2-one
CID 71364641
4-phenyl-1-propylpyrrolidin-2-one
CID 13362249
1-methyl-7-phenylazocan-2-one
CID 165415866
4-(4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 18361933
1-(1-aminoethyl)-4-phenylpyrrolidin-2-one
CID 143666177
(4S)-1-[bis(trimethylsilyl)methyl]-4-phenylpyrrolidin-2-one
CID 101372634
(4S)-1-[3-(dimethylamino)propyl]-4-phenylpyrrolidin-2-one
CID 746436
dimethyl-[3-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]propyl]azanium
CID 6936015
1-tert-butyl-4-phenylpiperidine-2,6-dione
CID 59551400
1,4-diphenylpiperidine-2,6-dione
CID 2812798
1-butyl-4-phenylpiperidine-2,6-dione
CID 58822038
(4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-2-one
CID 97281019

Frequently Asked Questions

What is the IUPAC name of (4S)-1-methyl-4-phenylpyrrolidin-2-one?
The IUPAC name of (4S)-1-methyl-4-phenylpyrrolidin-2-one (CID 67575934) is (4S)-1-methyl-4-phenylpyrrolidin-2-one.
What is the SMILES notation for (4S)-1-methyl-4-phenylpyrrolidin-2-one?
The canonical SMILES for (4S)-1-methyl-4-phenylpyrrolidin-2-one is CN1C[C@H](c2ccccc2)CC1=O.
What is the InChIKey of (4S)-1-methyl-4-phenylpyrrolidin-2-one?
The InChIKey is NJSMSOSBMMZSSB-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13NO/c1-12-8-10(7-11(12)13)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-/m1/s1.
What are the key properties of (4S)-1-methyl-4-phenylpyrrolidin-2-one?
(4S)-1-methyl-4-phenylpyrrolidin-2-one has a molecular weight of 175.23 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-methyl-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 67575934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).