2-methyl-1,3-diazaspiro[4.4]non-1-en-4-one

C8H12N2O — CID 20747568

IUPAC2-methyl-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESCC1=NC2(CCCC2)C(=O)N1
InChIInChI=1S/C8H12N2O/c1-6-9-7(11)8(10-6)4-2-3-5-8/h2-5H2,1H3,(H,9,10,11)
InChIKeyOEPOIGMABNTJKW-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.85
Rot. Bonds

About 2-methyl-1,3-diazaspiro[4.4]non-1-en-4-one

2-methyl-1,3-diazaspiro[4.4]non-1-en-4-one (PubChem CID 20747568) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-methyl-1,3-diazaspiro[4.4]non-1-en-4-one.

Molecular Properties

Compound Name2-methyl-1,3-diazaspiro[4.4]non-1-en-4-one
PubChem CID20747568
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-methyl-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESCC1=NC2(CCCC2)C(=O)N1
InChIInChI=1S/C8H12N2O/c1-6-9-7(11)8(10-6)4-2-3-5-8/h2-5H2,1H3,(H,9,10,11)
InChIKeyOEPOIGMABNTJKW-UHFFFAOYSA-N
XLogP0.85
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1,3-diazaspiro[4.4]non-1-en-4-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 2-methyl-1,3-diazaspiro[4.4]non-1-en-4-one?
The IUPAC name of 2-methyl-1,3-diazaspiro[4.4]non-1-en-4-one (CID 20747568) is 2-methyl-1,3-diazaspiro[4.4]non-1-en-4-one.
What is the SMILES notation for 2-methyl-1,3-diazaspiro[4.4]non-1-en-4-one?
The canonical SMILES for 2-methyl-1,3-diazaspiro[4.4]non-1-en-4-one is CC1=NC2(CCCC2)C(=O)N1.
What is the InChIKey of 2-methyl-1,3-diazaspiro[4.4]non-1-en-4-one?
The InChIKey is OEPOIGMABNTJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6-9-7(11)8(10-6)4-2-3-5-8/h2-5H2,1H3,(H,9,10,11).
What are the key properties of 2-methyl-1,3-diazaspiro[4.4]non-1-en-4-one?
2-methyl-1,3-diazaspiro[4.4]non-1-en-4-one has a molecular weight of 152.20 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-diazaspiro[4.4]non-1-en-4-one is sourced from PubChem (CID 20747568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).