1-ethyl-1,8-diazaspiro[4.5]dec-3-en-2-one

C10H16N2O — CID 150609827

IUPAC1-ethyl-1,8-diazaspiro[4.5]dec-3-en-2-one
SMILESCCN1C(=O)C=CC12CCNCC2
InChIInChI=1S/C10H16N2O/c1-2-12-9(13)3-4-10(12)5-7-11-8-6-10/h3-4,11H,2,5-8H2,1H3
InChIKeyITQJWMVRPADATN-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.53
Rot. Bonds1

About 1-ethyl-1,8-diazaspiro[4.5]dec-3-en-2-one

1-ethyl-1,8-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 150609827) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-ethyl-1,8-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name1-ethyl-1,8-diazaspiro[4.5]dec-3-en-2-one
PubChem CID150609827
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-ethyl-1,8-diazaspiro[4.5]dec-3-en-2-one
SMILESCCN1C(=O)C=CC12CCNCC2
InChIInChI=1S/C10H16N2O/c1-2-12-9(13)3-4-10(12)5-7-11-8-6-10/h3-4,11H,2,5-8H2,1H3
InChIKeyITQJWMVRPADATN-UHFFFAOYSA-N
XLogP0.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-1,8-diazaspiro[4.5]dec-3-en-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-ethyl-1,8-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 1-ethyl-1,8-diazaspiro[4.5]dec-3-en-2-one (CID 150609827) is 1-ethyl-1,8-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 1-ethyl-1,8-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 1-ethyl-1,8-diazaspiro[4.5]dec-3-en-2-one is CCN1C(=O)C=CC12CCNCC2.
What is the InChIKey of 1-ethyl-1,8-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is ITQJWMVRPADATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-12-9(13)3-4-10(12)5-7-11-8-6-10/h3-4,11H,2,5-8H2,1H3.
What are the key properties of 1-ethyl-1,8-diazaspiro[4.5]dec-3-en-2-one?
1-ethyl-1,8-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 180.25 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,8-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 150609827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).