7-tert-butyl-1-azaspiro[3.5]nonan-2-one

C12H21NO — CID 64663866

IUPAC7-tert-butyl-1-azaspiro[3.5]nonan-2-one
SMILESCC(C)(C)C1CCC2(CC1)CC(=O)N2
InChIInChI=1S/C12H21NO/c1-11(2,3)9-4-6-12(7-5-9)8-10(14)13-12/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyNEWWPTJPIFKYQI-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.48
Rot. Bonds

About 7-tert-butyl-1-azaspiro[3.5]nonan-2-one

7-tert-butyl-1-azaspiro[3.5]nonan-2-one (PubChem CID 64663866) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 7-tert-butyl-1-azaspiro[3.5]nonan-2-one.

Molecular Properties

Compound Name7-tert-butyl-1-azaspiro[3.5]nonan-2-one
PubChem CID64663866
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name7-tert-butyl-1-azaspiro[3.5]nonan-2-one
SMILESCC(C)(C)C1CCC2(CC1)CC(=O)N2
InChIInChI=1S/C12H21NO/c1-11(2,3)9-4-6-12(7-5-9)8-10(14)13-12/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyNEWWPTJPIFKYQI-UHFFFAOYSA-N
XLogP2.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7-tert-butyl-1-azaspiro[3.5]nonan-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 7-tert-butyl-1-azaspiro[3.5]nonan-2-one?
The IUPAC name of 7-tert-butyl-1-azaspiro[3.5]nonan-2-one (CID 64663866) is 7-tert-butyl-1-azaspiro[3.5]nonan-2-one.
What is the SMILES notation for 7-tert-butyl-1-azaspiro[3.5]nonan-2-one?
The canonical SMILES for 7-tert-butyl-1-azaspiro[3.5]nonan-2-one is CC(C)(C)C1CCC2(CC1)CC(=O)N2.
What is the InChIKey of 7-tert-butyl-1-azaspiro[3.5]nonan-2-one?
The InChIKey is NEWWPTJPIFKYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-11(2,3)9-4-6-12(7-5-9)8-10(14)13-12/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 7-tert-butyl-1-azaspiro[3.5]nonan-2-one?
7-tert-butyl-1-azaspiro[3.5]nonan-2-one has a molecular weight of 195.31 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-1-azaspiro[3.5]nonan-2-one is sourced from PubChem (CID 64663866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).