4-amino-8-methyl-1-prop-2-enyl-1,3-diazaspiro[4.4]non-3-en-2-one

C11H17N3O — CID 79967050

IUPAC4-amino-8-methyl-1-prop-2-enyl-1,3-diazaspiro[4.4]non-3-en-2-one
SMILESC=CCN1C(=O)N=C(N)C12CCC(C)C2
InChIInChI=1S/C11H17N3O/c1-3-6-14-10(15)13-9(12)11(14)5-4-8(2)7-11/h3,8H,1,4-7H2,2H3,(H2,12,13,15)
InChIKeyUKPHWGPPVHOGOP-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.52
Rot. Bonds2

About 4-amino-8-methyl-1-prop-2-enyl-1,3-diazaspiro[4.4]non-3-en-2-one

4-amino-8-methyl-1-prop-2-enyl-1,3-diazaspiro[4.4]non-3-en-2-one (PubChem CID 79967050) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-amino-8-methyl-1-prop-2-enyl-1,3-diazaspiro[4.4]non-3-en-2-one.

Molecular Properties

Compound Name4-amino-8-methyl-1-prop-2-enyl-1,3-diazaspiro[4.4]non-3-en-2-one
PubChem CID79967050
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-amino-8-methyl-1-prop-2-enyl-1,3-diazaspiro[4.4]non-3-en-2-one
SMILESC=CCN1C(=O)N=C(N)C12CCC(C)C2
InChIInChI=1S/C11H17N3O/c1-3-6-14-10(15)13-9(12)11(14)5-4-8(2)7-11/h3,8H,1,4-7H2,2H3,(H2,12,13,15)
InChIKeyUKPHWGPPVHOGOP-UHFFFAOYSA-N
XLogP1.52
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-amino-8-methyl-1-prop-2-enyl-1,3-diazaspiro[4.4]non-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 4-amino-8-methyl-1-prop-2-enyl-1,3-diazaspiro[4.4]non-3-en-2-one?
The IUPAC name of 4-amino-8-methyl-1-prop-2-enyl-1,3-diazaspiro[4.4]non-3-en-2-one (CID 79967050) is 4-amino-8-methyl-1-prop-2-enyl-1,3-diazaspiro[4.4]non-3-en-2-one.
What is the SMILES notation for 4-amino-8-methyl-1-prop-2-enyl-1,3-diazaspiro[4.4]non-3-en-2-one?
The canonical SMILES for 4-amino-8-methyl-1-prop-2-enyl-1,3-diazaspiro[4.4]non-3-en-2-one is C=CCN1C(=O)N=C(N)C12CCC(C)C2.
What is the InChIKey of 4-amino-8-methyl-1-prop-2-enyl-1,3-diazaspiro[4.4]non-3-en-2-one?
The InChIKey is UKPHWGPPVHOGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-6-14-10(15)13-9(12)11(14)5-4-8(2)7-11/h3,8H,1,4-7H2,2H3,(H2,12,13,15).
What are the key properties of 4-amino-8-methyl-1-prop-2-enyl-1,3-diazaspiro[4.4]non-3-en-2-one?
4-amino-8-methyl-1-prop-2-enyl-1,3-diazaspiro[4.4]non-3-en-2-one has a molecular weight of 207.28 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-methyl-1-prop-2-enyl-1,3-diazaspiro[4.4]non-3-en-2-one is sourced from PubChem (CID 79967050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).