(5R)-5-[(S)-hydroxy-(3-methoxyphenyl)methyl]pyrrolidin-2-one

C12H15NO3 — CID 135016515

IUPAC(5R)-5-[(S)-hydroxy-(3-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1cccc([C@H](O)[C@H]2CCC(=O)N2)c1
InChIInChI=1S/C12H15NO3/c1-16-9-4-2-3-8(7-9)12(15)10-5-6-11(14)13-10/h2-4,7,10,12,15H,5-6H2,1H3,(H,13,14)/t10-,12+/m1/s1
InChIKeyLNMIVOCLPOXGDO-PWSUYJOCSA-N
MW221.26 g/mol
LogP1.01
Rot. Bonds3

About (5R)-5-[(S)-hydroxy-(3-methoxyphenyl)methyl]pyrrolidin-2-one

(5R)-5-[(S)-hydroxy-(3-methoxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 135016515) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (5R)-5-[(S)-hydroxy-(3-methoxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(S)-hydroxy-(3-methoxyphenyl)methyl]pyrrolidin-2-one
PubChem CID135016515
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(5R)-5-[(S)-hydroxy-(3-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1cccc([C@H](O)[C@H]2CCC(=O)N2)c1
InChIInChI=1S/C12H15NO3/c1-16-9-4-2-3-8(7-9)12(15)10-5-6-11(14)13-10/h2-4,7,10,12,15H,5-6H2,1H3,(H,13,14)/t10-,12+/m1/s1
InChIKeyLNMIVOCLPOXGDO-PWSUYJOCSA-N
XLogP1.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxyphenyl)-[(2S)-piperidin-2-yl]methanol
CID 69187424
3-[hydroxy-(3-methoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-one
CID 18367392
(5S)-5-[(R)-(2,3-dimethylphenyl)-hydroxymethyl]pyrrolidin-2-one
CID 141439696
(4-ethylcyclohexyl)-(3-methoxyphenyl)methanol
CID 64749539
(5R)-5-[(E)-3-hydroxy-3-[3-(4-methylphenoxy)phenyl]prop-1-enyl]pyrrolidin-2-one
CID 141111143
1,4-dithian-2-yl-(3-methoxyphenyl)methanol
CID 79972446
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
1,3-dicyclopropyl-1,3-bis(3-methoxyphenyl)propan-2-one
CID 141244570
(5S)-5-[(S)-[(1R,2R)-2-hydroxycyclohexyl]-(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 101472092
5-(1-hydroxyethyl)pyrrolidin-2-one
CID 15129755
2-cyclopropyl-2-(3-methoxyphenyl)acetic acid
CID 82024075
2-cyclopropyl-2-methoxy-1-(3-methoxyphenyl)ethanol
CID 116712494

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(S)-hydroxy-(3-methoxyphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[(S)-hydroxy-(3-methoxyphenyl)methyl]pyrrolidin-2-one (CID 135016515) is (5R)-5-[(S)-hydroxy-(3-methoxyphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[(S)-hydroxy-(3-methoxyphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[(S)-hydroxy-(3-methoxyphenyl)methyl]pyrrolidin-2-one is COc1cccc([C@H](O)[C@H]2CCC(=O)N2)c1.
What is the InChIKey of (5R)-5-[(S)-hydroxy-(3-methoxyphenyl)methyl]pyrrolidin-2-one?
The InChIKey is LNMIVOCLPOXGDO-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H15NO3/c1-16-9-4-2-3-8(7-9)12(15)10-5-6-11(14)13-10/h2-4,7,10,12,15H,5-6H2,1H3,(H,13,14)/t10-,12+/m1/s1.
What are the key properties of (5R)-5-[(S)-hydroxy-(3-methoxyphenyl)methyl]pyrrolidin-2-one?
(5R)-5-[(S)-hydroxy-(3-methoxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(S)-hydroxy-(3-methoxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 135016515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).