1-methyl-1,3-diazaspiro[4.5]decan-2-one

C9H16N2O — CID 12620361

IUPAC1-methyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)NCC12CCCCC2
InChIInChI=1S/C9H16N2O/c1-11-8(12)10-7-9(11)5-3-2-4-6-9/h2-7H2,1H3,(H,10,12)
InChIKeyXNELVLCMQOAMBA-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.34
Rot. Bonds

About 1-methyl-1,3-diazaspiro[4.5]decan-2-one

1-methyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 12620361) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-methyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-methyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID12620361
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-methyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)NCC12CCCCC2
InChIInChI=1S/C9H16N2O/c1-11-8(12)10-7-9(11)5-3-2-4-6-9/h2-7H2,1H3,(H,10,12)
InChIKeyXNELVLCMQOAMBA-UHFFFAOYSA-N
XLogP1.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-methyl-1,3-diazaspiro[4.5]decan-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 1-methyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-methyl-1,3-diazaspiro[4.5]decan-2-one (CID 12620361) is 1-methyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-methyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-methyl-1,3-diazaspiro[4.5]decan-2-one is CN1C(=O)NCC12CCCCC2.
What is the InChIKey of 1-methyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is XNELVLCMQOAMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-11-8(12)10-7-9(11)5-3-2-4-6-9/h2-7H2,1H3,(H,10,12).
What are the key properties of 1-methyl-1,3-diazaspiro[4.5]decan-2-one?
1-methyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 168.24 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 12620361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).