(3R)-3-[(S)-hydroxy(phenyl)methyl]-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one

C15H14N2O2 — CID 101159086

IUPAC(3R)-3-[(S)-hydroxy(phenyl)methyl]-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCN1C(=O)c2ccncc2[C@@H]1[C@@H](O)c1ccccc1
InChIInChI=1S/C15H14N2O2/c1-17-13(14(18)10-5-3-2-4-6-10)12-9-16-8-7-11(12)15(17)19/h2-9,13-14,18H,1H3/t13-,14+/m1/s1
InChIKeyJSYLOWLIDZKOFP-KGLIPLIRSA-N
MW254.29 g/mol
LogP1.94
Rot. Bonds2

About (3R)-3-[(S)-hydroxy(phenyl)methyl]-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one

(3R)-3-[(S)-hydroxy(phenyl)methyl]-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 101159086) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is (3R)-3-[(S)-hydroxy(phenyl)methyl]-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name(3R)-3-[(S)-hydroxy(phenyl)methyl]-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID101159086
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name(3R)-3-[(S)-hydroxy(phenyl)methyl]-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCN1C(=O)c2ccncc2[C@@H]1[C@@H](O)c1ccccc1
InChIInChI=1S/C15H14N2O2/c1-17-13(14(18)10-5-3-2-4-6-10)12-9-16-8-7-11(12)15(17)19/h2-9,13-14,18H,1H3/t13-,14+/m1/s1
InChIKeyJSYLOWLIDZKOFP-KGLIPLIRSA-N
XLogP1.94
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 11252187
2-methylisoindole-1,3-dione;pyridine
CID 174877202
(3R)-3-(3,4-dichlorophenyl)-3-[(1S)-2-methyl-3-oxo-1H-isoindol-1-yl]propanal
CID 57172029
2-methyl-1-oxo-3-propan-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid
CID 82579601
2,3-dimethyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CID 82579599
(3R,4S)-3-[(S)-hydroxy(phenyl)methyl]-1-methyl-4-(3-methylimidazol-4-yl)pyrrolidin-2-one
CID 11266116
(Z)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyridin-4-ylprop-2-en-1-one
CID 98444599
(3S,4S,5S)-3,4-dihydroxy-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
CID 162977604
2-(2-acetylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 79671111
2-methyl-1a,7b-dihydro-1H-cyclopropa[c]isoquinolin-3-one
CID 121006099
2-[hydroxy(pyridin-3-yl)methyl]-1-methylquinolin-4-one
CID 15733015
(S)-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-phenylmethanol
CID 97239217

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(S)-hydroxy(phenyl)methyl]-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of (3R)-3-[(S)-hydroxy(phenyl)methyl]-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one (CID 101159086) is (3R)-3-[(S)-hydroxy(phenyl)methyl]-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for (3R)-3-[(S)-hydroxy(phenyl)methyl]-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for (3R)-3-[(S)-hydroxy(phenyl)methyl]-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one is CN1C(=O)c2ccncc2[C@@H]1[C@@H](O)c1ccccc1.
What is the InChIKey of (3R)-3-[(S)-hydroxy(phenyl)methyl]-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is JSYLOWLIDZKOFP-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-17-13(14(18)10-5-3-2-4-6-10)12-9-16-8-7-11(12)15(17)19/h2-9,13-14,18H,1H3/t13-,14+/m1/s1.
What are the key properties of (3R)-3-[(S)-hydroxy(phenyl)methyl]-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one?
(3R)-3-[(S)-hydroxy(phenyl)methyl]-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 254.29 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(S)-hydroxy(phenyl)methyl]-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 101159086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).