(3S)-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one

C12H15NO2 — CID 11264195

IUPAC(3S)-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
SMILESCOc1cccc([C@]2(C)CCNC2=O)c1
InChIInChI=1S/C12H15NO2/c1-12(6-7-13-11(12)14)9-4-3-5-10(8-9)15-2/h3-5,8H,6-7H2,1-2H3,(H,13,14)/t12-/m0/s1
InChIKeyDSYCFARLQSGRND-LBPRGKRZSA-N
MW205.26 g/mol
LogP1.47
Rot. Bonds2

About (3S)-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one

(3S)-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one (PubChem CID 11264195) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (3S)-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
PubChem CID11264195
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(3S)-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
SMILESCOc1cccc([C@]2(C)CCNC2=O)c1
InChIInChI=1S/C12H15NO2/c1-12(6-7-13-11(12)14)9-4-3-5-10(8-9)15-2/h3-5,8H,6-7H2,1-2H3,(H,13,14)/t12-/m0/s1
InChIKeyDSYCFARLQSGRND-LBPRGKRZSA-N
XLogP1.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(3-methoxyphenyl)-2-methylpiperidine
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2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid
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(5aR,8aR)-5a-(3-methoxyphenyl)-2,3,4,5,6,7,8,8a-octahydrocyclopenta[c]azepin-1-one
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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one?
The IUPAC name of (3S)-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one (CID 11264195) is (3S)-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one?
The canonical SMILES for (3S)-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one is COc1cccc([C@]2(C)CCNC2=O)c1.
What is the InChIKey of (3S)-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one?
The InChIKey is DSYCFARLQSGRND-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H15NO2/c1-12(6-7-13-11(12)14)9-4-3-5-10(8-9)15-2/h3-5,8H,6-7H2,1-2H3,(H,13,14)/t12-/m0/s1.
What are the key properties of (3S)-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one?
(3S)-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one is sourced from PubChem (CID 11264195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).