(3S)-3-(4-methoxyphenyl)pyrrolidin-2-one

C11H13NO2 — CID 94827666

IUPAC(3S)-3-(4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc([C@@H]2CCNC2=O)cc1
InChIInChI=1S/C11H13NO2/c1-14-9-4-2-8(3-5-9)10-6-7-12-11(10)13/h2-5,10H,6-7H2,1H3,(H,12,13)/t10-/m0/s1
InChIKeyBNBOBHYJXJOPCC-JTQLQIEISA-N
MW191.23 g/mol
LogP1.30
Rot. Bonds2

About (3S)-3-(4-methoxyphenyl)pyrrolidin-2-one

(3S)-3-(4-methoxyphenyl)pyrrolidin-2-one (PubChem CID 94827666) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (3S)-3-(4-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-(4-methoxyphenyl)pyrrolidin-2-one
PubChem CID94827666
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(3S)-3-(4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc([C@@H]2CCNC2=O)cc1
InChIInChI=1S/C11H13NO2/c1-14-9-4-2-8(3-5-9)10-6-7-12-11(10)13/h2-5,10H,6-7H2,1H3,(H,12,13)/t10-/m0/s1
InChIKeyBNBOBHYJXJOPCC-JTQLQIEISA-N
XLogP1.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethylphenyl)pyrrolidin-2-one
CID 82125500
ethane;3-(4-methoxyphenyl)-1,4-diazepan-2-one
CID 171840578
(3S,4R)-4-(4-methoxyphenyl)-2-oxopiperidine-3-carboxylic acid
CID 140888273
2-(4-methoxyphenyl)thiomorpholin-3-one
CID 14480955
3-(4-butylphenyl)pyrrolidin-2-one
CID 82127210
5-(4-methoxyphenyl)piperidine-2,4-dione
CID 139466443
(3S)-3-(4-methoxyphenyl)oxolan-2-one
CID 124514698
3-[[3-(4-methoxyphenyl)cyclobutyl]amino]piperidin-2-one
CID 62092299
(2S)-2-(4-methoxyphenyl)azetidine
CID 55278634
3-amino-4-(4-methoxyphenyl)azetidin-2-one
CID 82402822
(3S,4S)-3-chloro-4-(4-methoxyphenyl)azetidin-2-one
CID 11171849
(3S,6S)-6-(4-methoxyphenyl)-3-methylpiperidin-2-one
CID 177493796

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of (3S)-3-(4-methoxyphenyl)pyrrolidin-2-one (CID 94827666) is (3S)-3-(4-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-(4-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for (3S)-3-(4-methoxyphenyl)pyrrolidin-2-one is COc1ccc([C@@H]2CCNC2=O)cc1.
What is the InChIKey of (3S)-3-(4-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is BNBOBHYJXJOPCC-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13NO2/c1-14-9-4-2-8(3-5-9)10-6-7-12-11(10)13/h2-5,10H,6-7H2,1H3,(H,12,13)/t10-/m0/s1.
What are the key properties of (3S)-3-(4-methoxyphenyl)pyrrolidin-2-one?
(3S)-3-(4-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 191.23 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 94827666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).