1-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)ethanone

C13H23NO — CID 71244312

IUPAC1-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)ethanone
SMILESCC(=O)N1CCC2(CC1)CC(C(C)C)C2
InChIInChI=1S/C13H23NO/c1-10(2)12-8-13(9-12)4-6-14(7-5-13)11(3)15/h10,12H,4-9H2,1-3H3
InChIKeyNGQBZSNCGKKPDP-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.68
Rot. Bonds1

About 1-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)ethanone

1-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)ethanone (PubChem CID 71244312) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)ethanone.

Molecular Properties

Compound Name1-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)ethanone
PubChem CID71244312
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)ethanone
SMILESCC(=O)N1CCC2(CC1)CC(C(C)C)C2
InChIInChI=1S/C13H23NO/c1-10(2)12-8-13(9-12)4-6-14(7-5-13)11(3)15/h10,12H,4-9H2,1-3H3
InChIKeyNGQBZSNCGKKPDP-UHFFFAOYSA-N
XLogP2.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)ethanone 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 1-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)ethanone?
The IUPAC name of 1-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)ethanone (CID 71244312) is 1-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)ethanone.
What is the SMILES notation for 1-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)ethanone?
The canonical SMILES for 1-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)ethanone is CC(=O)N1CCC2(CC1)CC(C(C)C)C2.
What is the InChIKey of 1-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)ethanone?
The InChIKey is NGQBZSNCGKKPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-10(2)12-8-13(9-12)4-6-14(7-5-13)11(3)15/h10,12H,4-9H2,1-3H3.
What are the key properties of 1-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)ethanone?
1-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)ethanone has a molecular weight of 209.33 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)ethanone is sourced from PubChem (CID 71244312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).