(2S)-2-but-2-enyl-6-methylspiro[2H-indene-3,1'-cyclohexane]-1-one

C19H24O — CID 67636665

IUPAC(2S)-2-but-2-enyl-6-methylspiro[2H-indene-3,1'-cyclohexane]-1-one
SMILESCC=CC[C@@H]1C(=O)c2cc(C)ccc2C12CCCCC2
InChIInChI=1S/C19H24O/c1-3-4-8-17-18(20)15-13-14(2)9-10-16(15)19(17)11-6-5-7-12-19/h3-4,9-10,13,17H,5-8,11-12H2,1-2H3/t17-/m1/s1
InChIKeyBDWNIKHGIZXPPP-QGZVFWFLSA-N
MW268.40 g/mol
LogP4.98
Rot. Bonds2

About (2S)-2-but-2-enyl-6-methylspiro[2H-indene-3,1'-cyclohexane]-1-one

(2S)-2-but-2-enyl-6-methylspiro[2H-indene-3,1'-cyclohexane]-1-one (PubChem CID 67636665) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is (2S)-2-but-2-enyl-6-methylspiro[2H-indene-3,1'-cyclohexane]-1-one.

Molecular Properties

Compound Name(2S)-2-but-2-enyl-6-methylspiro[2H-indene-3,1'-cyclohexane]-1-one
PubChem CID67636665
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name(2S)-2-but-2-enyl-6-methylspiro[2H-indene-3,1'-cyclohexane]-1-one
SMILESCC=CC[C@@H]1C(=O)c2cc(C)ccc2C12CCCCC2
InChIInChI=1S/C19H24O/c1-3-4-8-17-18(20)15-13-14(2)9-10-16(15)19(17)11-6-5-7-12-19/h3-4,9-10,13,17H,5-8,11-12H2,1-2H3/t17-/m1/s1
InChIKeyBDWNIKHGIZXPPP-QGZVFWFLSA-N
XLogP4.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S)-2-but-2-enyl-6-methylspiro[2H-indene-3,1'-cyclohexane]-1-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)-2-but-2-enyl-6-methylspiro[2H-indene-3,1'-cyclohexane]-1-one?
The IUPAC name of (2S)-2-but-2-enyl-6-methylspiro[2H-indene-3,1'-cyclohexane]-1-one (CID 67636665) is (2S)-2-but-2-enyl-6-methylspiro[2H-indene-3,1'-cyclohexane]-1-one.
What is the SMILES notation for (2S)-2-but-2-enyl-6-methylspiro[2H-indene-3,1'-cyclohexane]-1-one?
The canonical SMILES for (2S)-2-but-2-enyl-6-methylspiro[2H-indene-3,1'-cyclohexane]-1-one is CC=CC[C@@H]1C(=O)c2cc(C)ccc2C12CCCCC2.
What is the InChIKey of (2S)-2-but-2-enyl-6-methylspiro[2H-indene-3,1'-cyclohexane]-1-one?
The InChIKey is BDWNIKHGIZXPPP-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24O/c1-3-4-8-17-18(20)15-13-14(2)9-10-16(15)19(17)11-6-5-7-12-19/h3-4,9-10,13,17H,5-8,11-12H2,1-2H3/t17-/m1/s1.
What are the key properties of (2S)-2-but-2-enyl-6-methylspiro[2H-indene-3,1'-cyclohexane]-1-one?
(2S)-2-but-2-enyl-6-methylspiro[2H-indene-3,1'-cyclohexane]-1-one has a molecular weight of 268.40 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-but-2-enyl-6-methylspiro[2H-indene-3,1'-cyclohexane]-1-one is sourced from PubChem (CID 67636665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).