5-propan-2-ylspiro[1H-indole-3,1'-cyclohexane]-2-one

C16H21NO — CID 82085220

IUPAC5-propan-2-ylspiro[1H-indole-3,1'-cyclohexane]-2-one
SMILESCC(C)c1ccc2c(c1)C1(CCCCC1)C(=O)N2
InChIInChI=1S/C16H21NO/c1-11(2)12-6-7-14-13(10-12)16(15(18)17-14)8-4-3-5-9-16/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyZVLAEFQJZUHTKK-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.96
Rot. Bonds1

About 5-propan-2-ylspiro[1H-indole-3,1'-cyclohexane]-2-one

5-propan-2-ylspiro[1H-indole-3,1'-cyclohexane]-2-one (PubChem CID 82085220) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-propan-2-ylspiro[1H-indole-3,1'-cyclohexane]-2-one.

Molecular Properties

Compound Name5-propan-2-ylspiro[1H-indole-3,1'-cyclohexane]-2-one
PubChem CID82085220
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name5-propan-2-ylspiro[1H-indole-3,1'-cyclohexane]-2-one
SMILESCC(C)c1ccc2c(c1)C1(CCCCC1)C(=O)N2
InChIInChI=1S/C16H21NO/c1-11(2)12-6-7-14-13(10-12)16(15(18)17-14)8-4-3-5-9-16/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyZVLAEFQJZUHTKK-UHFFFAOYSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-propan-2-ylspiro[1H-indole-3,1'-cyclohexane]-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

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-ylspiro[1H-indole-3,1'-cyclohexane]-2-one?
The IUPAC name of 5-propan-2-ylspiro[1H-indole-3,1'-cyclohexane]-2-one (CID 82085220) is 5-propan-2-ylspiro[1H-indole-3,1'-cyclohexane]-2-one.
What is the SMILES notation for 5-propan-2-ylspiro[1H-indole-3,1'-cyclohexane]-2-one?
The canonical SMILES for 5-propan-2-ylspiro[1H-indole-3,1'-cyclohexane]-2-one is CC(C)c1ccc2c(c1)C1(CCCCC1)C(=O)N2.
What is the InChIKey of 5-propan-2-ylspiro[1H-indole-3,1'-cyclohexane]-2-one?
The InChIKey is ZVLAEFQJZUHTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-11(2)12-6-7-14-13(10-12)16(15(18)17-14)8-4-3-5-9-16/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,18).
What are the key properties of 5-propan-2-ylspiro[1H-indole-3,1'-cyclohexane]-2-one?
5-propan-2-ylspiro[1H-indole-3,1'-cyclohexane]-2-one has a molecular weight of 243.35 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-ylspiro[1H-indole-3,1'-cyclohexane]-2-one is sourced from PubChem (CID 82085220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).