5-(3-oxobutyl)-4-oxa-5-azaspiro[2.4]heptan-6-one

C9H13NO3 — CID 105440498

IUPAC5-(3-oxobutyl)-4-oxa-5-azaspiro[2.4]heptan-6-one
SMILESCC(=O)CCN1OC2(CC2)CC1=O
InChIInChI=1S/C9H13NO3/c1-7(11)2-5-10-8(12)6-9(13-10)3-4-9/h2-6H2,1H3
InChIKeyOSGCAHVEUYKMEO-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.66
Rot. Bonds3

About 5-(3-oxobutyl)-4-oxa-5-azaspiro[2.4]heptan-6-one

5-(3-oxobutyl)-4-oxa-5-azaspiro[2.4]heptan-6-one (PubChem CID 105440498) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-(3-oxobutyl)-4-oxa-5-azaspiro[2.4]heptan-6-one.

Molecular Properties

Compound Name5-(3-oxobutyl)-4-oxa-5-azaspiro[2.4]heptan-6-one
PubChem CID105440498
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name5-(3-oxobutyl)-4-oxa-5-azaspiro[2.4]heptan-6-one
SMILESCC(=O)CCN1OC2(CC2)CC1=O
InChIInChI=1S/C9H13NO3/c1-7(11)2-5-10-8(12)6-9(13-10)3-4-9/h2-6H2,1H3
InChIKeyOSGCAHVEUYKMEO-UHFFFAOYSA-N
XLogP0.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(3-oxobutyl)-4-oxa-5-azaspiro[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-oxobutyl)-4-oxa-5-azaspiro[2.4]heptan-6-one?
The IUPAC name of 5-(3-oxobutyl)-4-oxa-5-azaspiro[2.4]heptan-6-one (CID 105440498) is 5-(3-oxobutyl)-4-oxa-5-azaspiro[2.4]heptan-6-one.
What is the SMILES notation for 5-(3-oxobutyl)-4-oxa-5-azaspiro[2.4]heptan-6-one?
The canonical SMILES for 5-(3-oxobutyl)-4-oxa-5-azaspiro[2.4]heptan-6-one is CC(=O)CCN1OC2(CC2)CC1=O.
What is the InChIKey of 5-(3-oxobutyl)-4-oxa-5-azaspiro[2.4]heptan-6-one?
The InChIKey is OSGCAHVEUYKMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-7(11)2-5-10-8(12)6-9(13-10)3-4-9/h2-6H2,1H3.
What are the key properties of 5-(3-oxobutyl)-4-oxa-5-azaspiro[2.4]heptan-6-one?
5-(3-oxobutyl)-4-oxa-5-azaspiro[2.4]heptan-6-one has a molecular weight of 183.21 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-oxobutyl)-4-oxa-5-azaspiro[2.4]heptan-6-one is sourced from PubChem (CID 105440498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).