(3S)-3-hydroxy-5-methyl-3-(1H-pyrrol-2-yl)-1H-indol-2-one

C13H12N2O2 — CID 134949748

IUPAC(3S)-3-hydroxy-5-methyl-3-(1H-pyrrol-2-yl)-1H-indol-2-one
SMILESCc1ccc2c(c1)[C@](O)(c1ccc[nH]1)C(=O)N2
InChIInChI=1S/C13H12N2O2/c1-8-4-5-10-9(7-8)13(17,12(16)15-10)11-3-2-6-14-11/h2-7,14,17H,1H3,(H,15,16)/t13-/m0/s1
InChIKeySAUBTJCFKMVAPA-ZDUSSCGKSA-N
MW228.25 g/mol
LogP1.51
Rot. Bonds1

About (3S)-3-hydroxy-5-methyl-3-(1H-pyrrol-2-yl)-1H-indol-2-one

(3S)-3-hydroxy-5-methyl-3-(1H-pyrrol-2-yl)-1H-indol-2-one (PubChem CID 134949748) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is (3S)-3-hydroxy-5-methyl-3-(1H-pyrrol-2-yl)-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-5-methyl-3-(1H-pyrrol-2-yl)-1H-indol-2-one
PubChem CID134949748
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name(3S)-3-hydroxy-5-methyl-3-(1H-pyrrol-2-yl)-1H-indol-2-one
SMILESCc1ccc2c(c1)[C@](O)(c1ccc[nH]1)C(=O)N2
InChIInChI=1S/C13H12N2O2/c1-8-4-5-10-9(7-8)13(17,12(16)15-10)11-3-2-6-14-11/h2-7,14,17H,1H3,(H,15,16)/t13-/m0/s1
InChIKeySAUBTJCFKMVAPA-ZDUSSCGKSA-N
XLogP1.51
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-5-bromo-3-hydroxy-3-(1H-pyrrol-2-yl)-1H-indol-2-one
CID 125477104
(3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-5-methyl-1H-indol-2-one
CID 7333291
(2'R,3R)-2'-(hydroxymethyl)-5-methylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 52915747
5-fluoro-3-hydroxy-3-(5-methyl-1H-indol-3-yl)-1H-indol-2-one
CID 118710068
N-tert-butyl-4-(3-hydroxy-5-methyl-2-oxo-1H-indol-3-yl)benzenesulfonamide
CID 178047850
(3R)-3-hydroxy-5-methyl-3-phenacyl-1H-indol-2-one
CID 682358
5,5,5'-trimethylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one
CID 91448943
(3S)-1',1'-dichloro-5-methylspiro[1H-indole-3,2'-cyclopropane]-2-one
CID 175639660
5-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 156760180
3-[2-(2-fluorophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one
CID 46360620
5-methylspiro[1H-indole-3,2'-3H-1,3-benzothiazole]-2-one
CID 45275938
4',4'-difluoro-5-methylspiro[1H-indole-3,1'-cyclohexane]-2-one
CID 106702132

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-5-methyl-3-(1H-pyrrol-2-yl)-1H-indol-2-one?
The IUPAC name of (3S)-3-hydroxy-5-methyl-3-(1H-pyrrol-2-yl)-1H-indol-2-one (CID 134949748) is (3S)-3-hydroxy-5-methyl-3-(1H-pyrrol-2-yl)-1H-indol-2-one.
What is the SMILES notation for (3S)-3-hydroxy-5-methyl-3-(1H-pyrrol-2-yl)-1H-indol-2-one?
The canonical SMILES for (3S)-3-hydroxy-5-methyl-3-(1H-pyrrol-2-yl)-1H-indol-2-one is Cc1ccc2c(c1)[C@](O)(c1ccc[nH]1)C(=O)N2.
What is the InChIKey of (3S)-3-hydroxy-5-methyl-3-(1H-pyrrol-2-yl)-1H-indol-2-one?
The InChIKey is SAUBTJCFKMVAPA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-8-4-5-10-9(7-8)13(17,12(16)15-10)11-3-2-6-14-11/h2-7,14,17H,1H3,(H,15,16)/t13-/m0/s1.
What are the key properties of (3S)-3-hydroxy-5-methyl-3-(1H-pyrrol-2-yl)-1H-indol-2-one?
(3S)-3-hydroxy-5-methyl-3-(1H-pyrrol-2-yl)-1H-indol-2-one has a molecular weight of 228.25 g/mol, XLogP of 1.51, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-5-methyl-3-(1H-pyrrol-2-yl)-1H-indol-2-one is sourced from PubChem (CID 134949748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).