1-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)ethanone

C9H16N2O — CID 166543592

IUPAC1-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)ethanone
SMILESCC(=O)N1CC2(CCCN2C)C1
InChIInChI=1S/C9H16N2O/c1-8(12)11-6-9(7-11)4-3-5-10(9)2/h3-7H2,1-2H3
InChIKeyYSWQANYAAWWHFZ-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.31
Rot. Bonds

About 1-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)ethanone

1-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)ethanone (PubChem CID 166543592) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)ethanone
PubChem CID166543592
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)ethanone
SMILESCC(=O)N1CC2(CCCN2C)C1
InChIInChI=1S/C9H16N2O/c1-8(12)11-6-9(7-11)4-3-5-10(9)2/h3-7H2,1-2H3
InChIKeyYSWQANYAAWWHFZ-UHFFFAOYSA-N
XLogP0.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(5-methyl-2,5-diazaspiro[3.4]octan-2-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-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)ethanone?
The IUPAC name of 1-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)ethanone (CID 166543592) is 1-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)ethanone.
What is the SMILES notation for 1-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)ethanone?
The canonical SMILES for 1-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)ethanone is CC(=O)N1CC2(CCCN2C)C1.
What is the InChIKey of 1-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)ethanone?
The InChIKey is YSWQANYAAWWHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-8(12)11-6-9(7-11)4-3-5-10(9)2/h3-7H2,1-2H3.
What are the key properties of 1-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)ethanone?
1-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)ethanone has a molecular weight of 168.24 g/mol, XLogP of 0.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)ethanone is sourced from PubChem (CID 166543592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).