(3S,3'R)-3'-(2-hydroxyethyl)spiro[1H-indole-3,4'-cyclohexene]-2-one

C15H17NO2 — CID 102181510

IUPAC(3S,3'R)-3'-(2-hydroxyethyl)spiro[1H-indole-3,4'-cyclohexene]-2-one
SMILESO=C1Nc2ccccc2[C@@]12CCC=C[C@H]2CCO
InChIInChI=1S/C15H17NO2/c17-10-8-11-5-3-4-9-15(11)12-6-1-2-7-13(12)16-14(15)18/h1-3,5-7,11,17H,4,8-10H2,(H,16,18)/t11-,15-/m0/s1
InChIKeyMWWGPVXOBMTLIN-NHYWBVRUSA-N
MW243.31 g/mol
LogP2.23
Rot. Bonds2

About (3S,3'R)-3'-(2-hydroxyethyl)spiro[1H-indole-3,4'-cyclohexene]-2-one

(3S,3'R)-3'-(2-hydroxyethyl)spiro[1H-indole-3,4'-cyclohexene]-2-one (PubChem CID 102181510) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (3S,3'R)-3'-(2-hydroxyethyl)spiro[1H-indole-3,4'-cyclohexene]-2-one.

Molecular Properties

Compound Name(3S,3'R)-3'-(2-hydroxyethyl)spiro[1H-indole-3,4'-cyclohexene]-2-one
PubChem CID102181510
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(3S,3'R)-3'-(2-hydroxyethyl)spiro[1H-indole-3,4'-cyclohexene]-2-one
SMILESO=C1Nc2ccccc2[C@@]12CCC=C[C@H]2CCO
InChIInChI=1S/C15H17NO2/c17-10-8-11-5-3-4-9-15(11)12-6-1-2-7-13(12)16-14(15)18/h1-3,5-7,11,17H,4,8-10H2,(H,16,18)/t11-,15-/m0/s1
InChIKeyMWWGPVXOBMTLIN-NHYWBVRUSA-N
XLogP2.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3S,3'R)-3'-(2-hydroxyethyl)spiro[1H-indole-3,4'-cyclohexene]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2'S,3S)-2'-ethylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 131857394
(1S,2S)-1-hydroxyspiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one
CID 134951476
(2'R,3S)-2'-(4-oxopentyl)-1'-(2,2,2-trifluoroacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 102069093
(2'S,3R)-1'-(3-methylsulfonylpropanoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615313
spiro[1H-indole-3,1'-cyclopropane]-2-one;hydrochloride
CID 141126988
3,3-dimethyl-1H-indol-2-one;ethanol
CID 158151574
2'-pyridin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 3882374
methyl 5-oxo-5-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]pentanoate
CID 165421143
(2'S,3R)-1'-ethylsulfonyl-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid
CID 171322090
(2'S,3R)-1'-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612604
(1'R,3S)-N-(cyclopropylmethyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide
CID 97413025
N-(2-aminoethyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide
CID 134073266

Frequently Asked Questions

What is the IUPAC name of (3S,3'R)-3'-(2-hydroxyethyl)spiro[1H-indole-3,4'-cyclohexene]-2-one?
The IUPAC name of (3S,3'R)-3'-(2-hydroxyethyl)spiro[1H-indole-3,4'-cyclohexene]-2-one (CID 102181510) is (3S,3'R)-3'-(2-hydroxyethyl)spiro[1H-indole-3,4'-cyclohexene]-2-one.
What is the SMILES notation for (3S,3'R)-3'-(2-hydroxyethyl)spiro[1H-indole-3,4'-cyclohexene]-2-one?
The canonical SMILES for (3S,3'R)-3'-(2-hydroxyethyl)spiro[1H-indole-3,4'-cyclohexene]-2-one is O=C1Nc2ccccc2[C@@]12CCC=C[C@H]2CCO.
What is the InChIKey of (3S,3'R)-3'-(2-hydroxyethyl)spiro[1H-indole-3,4'-cyclohexene]-2-one?
The InChIKey is MWWGPVXOBMTLIN-NHYWBVRUSA-N. The full InChI is InChI=1S/C15H17NO2/c17-10-8-11-5-3-4-9-15(11)12-6-1-2-7-13(12)16-14(15)18/h1-3,5-7,11,17H,4,8-10H2,(H,16,18)/t11-,15-/m0/s1.
What are the key properties of (3S,3'R)-3'-(2-hydroxyethyl)spiro[1H-indole-3,4'-cyclohexene]-2-one?
(3S,3'R)-3'-(2-hydroxyethyl)spiro[1H-indole-3,4'-cyclohexene]-2-one has a molecular weight of 243.31 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3'R)-3'-(2-hydroxyethyl)spiro[1H-indole-3,4'-cyclohexene]-2-one is sourced from PubChem (CID 102181510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).