5-(3-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one

C9H16N2O2 — CID 105441177

IUPAC5-(3-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one
SMILESCN1N(CCCO)C(=O)CC12CC2
InChIInChI=1S/C9H16N2O2/c1-10-9(3-4-9)7-8(13)11(10)5-2-6-12/h12H,2-7H2,1H3
InChIKeyWSOIBVQKNDSFBO-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.02
Rot. Bonds3

About 5-(3-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one

5-(3-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one (PubChem CID 105441177) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 5-(3-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one.

Molecular Properties

Compound Name5-(3-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one
PubChem CID105441177
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name5-(3-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one
SMILESCN1N(CCCO)C(=O)CC12CC2
InChIInChI=1S/C9H16N2O2/c1-10-9(3-4-9)7-8(13)11(10)5-2-6-12/h12H,2-7H2,1H3
InChIKeyWSOIBVQKNDSFBO-UHFFFAOYSA-N
XLogP-0.02
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-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 5-(3-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one?
The IUPAC name of 5-(3-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one (CID 105441177) is 5-(3-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one.
What is the SMILES notation for 5-(3-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one?
The canonical SMILES for 5-(3-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one is CN1N(CCCO)C(=O)CC12CC2.
What is the InChIKey of 5-(3-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one?
The InChIKey is WSOIBVQKNDSFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-10-9(3-4-9)7-8(13)11(10)5-2-6-12/h12H,2-7H2,1H3.
What are the key properties of 5-(3-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one?
5-(3-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one has a molecular weight of 184.24 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one is sourced from PubChem (CID 105441177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).