9-[2-(2-ethylimidazol-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one

C15H23N3O2 — CID 72862931

IUPAC9-[2-(2-ethylimidazol-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESCCc1nccn1CCN1CC2(CCOC2)CCC1=O
InChIInChI=1S/C15H23N3O2/c1-2-13-16-6-7-17(13)8-9-18-11-15(4-3-14(18)19)5-10-20-12-15/h6-7H,2-5,8-12H2,1H3
InChIKeyJACAAMGQEMEKQR-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.47
Rot. Bonds4

About 9-[2-(2-ethylimidazol-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one

9-[2-(2-ethylimidazol-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one (PubChem CID 72862931) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 9-[2-(2-ethylimidazol-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name9-[2-(2-ethylimidazol-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
PubChem CID72862931
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name9-[2-(2-ethylimidazol-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESCCc1nccn1CCN1CC2(CCOC2)CCC1=O
InChIInChI=1S/C15H23N3O2/c1-2-13-16-6-7-17(13)8-9-18-11-15(4-3-14(18)19)5-10-20-12-15/h6-7H,2-5,8-12H2,1H3
InChIKeyJACAAMGQEMEKQR-UHFFFAOYSA-N
XLogP1.47
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[2-(2-ethylimidazol-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-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 9-[2-(2-ethylimidazol-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The IUPAC name of 9-[2-(2-ethylimidazol-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one (CID 72862931) is 9-[2-(2-ethylimidazol-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one.
What is the SMILES notation for 9-[2-(2-ethylimidazol-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The canonical SMILES for 9-[2-(2-ethylimidazol-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one is CCc1nccn1CCN1CC2(CCOC2)CCC1=O.
What is the InChIKey of 9-[2-(2-ethylimidazol-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The InChIKey is JACAAMGQEMEKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-13-16-6-7-17(13)8-9-18-11-15(4-3-14(18)19)5-10-20-12-15/h6-7H,2-5,8-12H2,1H3.
What are the key properties of 9-[2-(2-ethylimidazol-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
9-[2-(2-ethylimidazol-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one has a molecular weight of 277.37 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2-ethylimidazol-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one is sourced from PubChem (CID 72862931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).