(2S,7S)-7-hydroxy-2-(hydroxymethyl)-2,7-dimethyl-5-methylidenespiro[1,3-dihydroindene-6,1'-cyclopropane]-4-one

C15H20O3 — CID 10467198

IUPAC(2S,7S)-7-hydroxy-2-(hydroxymethyl)-2,7-dimethyl-5-methylidenespiro[1,3-dihydroindene-6,1'-cyclopropane]-4-one
SMILESC=C1C(=O)C2=C(C[C@](C)(CO)C2)[C@](C)(O)C12CC2
InChIInChI=1S/C15H20O3/c1-9-12(17)10-6-13(2,8-16)7-11(10)14(3,18)15(9)4-5-15/h16,18H,1,4-8H2,2-3H3/t13-,14+/m1/s1
InChIKeyQZJXMQBEUMDWAU-KGLIPLIRSA-N
MW248.32 g/mol
LogP1.75
Rot. Bonds1

About (2S,7S)-7-hydroxy-2-(hydroxymethyl)-2,7-dimethyl-5-methylidenespiro[1,3-dihydroindene-6,1'-cyclopropane]-4-one

(2S,7S)-7-hydroxy-2-(hydroxymethyl)-2,7-dimethyl-5-methylidenespiro[1,3-dihydroindene-6,1'-cyclopropane]-4-one (PubChem CID 10467198) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (2S,7S)-7-hydroxy-2-(hydroxymethyl)-2,7-dimethyl-5-methylidenespiro[1,3-dihydroindene-6,1'-cyclopropane]-4-one.

Molecular Properties

Compound Name(2S,7S)-7-hydroxy-2-(hydroxymethyl)-2,7-dimethyl-5-methylidenespiro[1,3-dihydroindene-6,1'-cyclopropane]-4-one
PubChem CID10467198
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(2S,7S)-7-hydroxy-2-(hydroxymethyl)-2,7-dimethyl-5-methylidenespiro[1,3-dihydroindene-6,1'-cyclopropane]-4-one
SMILESC=C1C(=O)C2=C(C[C@](C)(CO)C2)[C@](C)(O)C12CC2
InChIInChI=1S/C15H20O3/c1-9-12(17)10-6-13(2,8-16)7-11(10)14(3,18)15(9)4-5-15/h16,18H,1,4-8H2,2-3H3/t13-,14+/m1/s1
InChIKeyQZJXMQBEUMDWAU-KGLIPLIRSA-N
XLogP1.75
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2S,7S)-7-hydroxy-2-(hydroxymethyl)-2,7-dimethyl-5-methylidenespiro[1,3-dihydroindene-6,1'-cyclopropane]-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,7S)-7-hydroxy-2-(hydroxymethyl)-2,7-dimethyl-5-methylidenespiro[1,3-dihydroindene-6,1'-cyclopropane]-4-one?
The IUPAC name of (2S,7S)-7-hydroxy-2-(hydroxymethyl)-2,7-dimethyl-5-methylidenespiro[1,3-dihydroindene-6,1'-cyclopropane]-4-one (CID 10467198) is (2S,7S)-7-hydroxy-2-(hydroxymethyl)-2,7-dimethyl-5-methylidenespiro[1,3-dihydroindene-6,1'-cyclopropane]-4-one.
What is the SMILES notation for (2S,7S)-7-hydroxy-2-(hydroxymethyl)-2,7-dimethyl-5-methylidenespiro[1,3-dihydroindene-6,1'-cyclopropane]-4-one?
The canonical SMILES for (2S,7S)-7-hydroxy-2-(hydroxymethyl)-2,7-dimethyl-5-methylidenespiro[1,3-dihydroindene-6,1'-cyclopropane]-4-one is C=C1C(=O)C2=C(C[C@](C)(CO)C2)[C@](C)(O)C12CC2.
What is the InChIKey of (2S,7S)-7-hydroxy-2-(hydroxymethyl)-2,7-dimethyl-5-methylidenespiro[1,3-dihydroindene-6,1'-cyclopropane]-4-one?
The InChIKey is QZJXMQBEUMDWAU-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H20O3/c1-9-12(17)10-6-13(2,8-16)7-11(10)14(3,18)15(9)4-5-15/h16,18H,1,4-8H2,2-3H3/t13-,14+/m1/s1.
What are the key properties of (2S,7S)-7-hydroxy-2-(hydroxymethyl)-2,7-dimethyl-5-methylidenespiro[1,3-dihydroindene-6,1'-cyclopropane]-4-one?
(2S,7S)-7-hydroxy-2-(hydroxymethyl)-2,7-dimethyl-5-methylidenespiro[1,3-dihydroindene-6,1'-cyclopropane]-4-one has a molecular weight of 248.32 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,7S)-7-hydroxy-2-(hydroxymethyl)-2,7-dimethyl-5-methylidenespiro[1,3-dihydroindene-6,1'-cyclopropane]-4-one is sourced from PubChem (CID 10467198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).