9-(cyclopent-3-ene-1-carbonyl)-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one

C18H26N2O2 — CID 131651242

IUPAC9-(cyclopent-3-ene-1-carbonyl)-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one
SMILESC=CCN1C(=O)CCC12CCCN(C(=O)C1CC=CC1)CC2
InChIInChI=1S/C18H26N2O2/c1-2-12-20-16(21)8-10-18(20)9-5-13-19(14-11-18)17(22)15-6-3-4-7-15/h2-4,15H,1,5-14H2
InChIKeyBWUKPUMXMALAIV-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.51
Rot. Bonds3

About 9-(cyclopent-3-ene-1-carbonyl)-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one

9-(cyclopent-3-ene-1-carbonyl)-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 131651242) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 9-(cyclopent-3-ene-1-carbonyl)-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name9-(cyclopent-3-ene-1-carbonyl)-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID131651242
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name9-(cyclopent-3-ene-1-carbonyl)-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one
SMILESC=CCN1C(=O)CCC12CCCN(C(=O)C1CC=CC1)CC2
InChIInChI=1S/C18H26N2O2/c1-2-12-20-16(21)8-10-18(20)9-5-13-19(14-11-18)17(22)15-6-3-4-7-15/h2-4,15H,1,5-14H2
InChIKeyBWUKPUMXMALAIV-UHFFFAOYSA-N
XLogP2.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-(cyclopent-3-ene-1-carbonyl)-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-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

Related Compounds

9-(Cyclopent-3-ene-1-carbonyl)-1-[2-(dimethylamino)ethyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 118742377
5-methyl-1-[2-[(Z)-prop-1-enyl]-2-propylpyrrolidin-1-yl]heptan-1-one
CID 167443362
(10S,10aR)-10-(pyrrolidine-1-carbonyl)-6,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a]azepin-4-one
CID 46704309
2-[(9S,9aS)-3-oxo-1,2,5,6,9,9a-hexahydropyrrolo[1,2-a]azepin-9-yl]-N,N-dimethylacetamide
CID 53304454
2-Cyclopent-2-en-1-yl-1-(3-pyrrolidin-1-ylazepan-1-yl)ethanone
CID 53594097
1-((1R,5S)-8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-cyclopentylethanone
CID 90627099
(5R)-9-(cyclopent-3-ene-1-carbonyl)-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one
CID 97393927
(5S)-9-(cyclopent-3-ene-1-carbonyl)-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one
CID 97393928
(5R)-9-(cyclopent-3-ene-1-carbonyl)-1-[2-(dimethylamino)ethyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 97484805
(5S)-9-(cyclopent-3-ene-1-carbonyl)-1-[2-(dimethylamino)ethyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 97484808
1-(1-Azaspiro[4.4]non-8-en-1-yl)-6-methyloctan-1-one
CID 102303628
9-(1-Methylcyclohex-3-ene-1-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131683870

Frequently Asked Questions

What is the IUPAC name of 9-(cyclopent-3-ene-1-carbonyl)-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 9-(cyclopent-3-ene-1-carbonyl)-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one (CID 131651242) is 9-(cyclopent-3-ene-1-carbonyl)-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 9-(cyclopent-3-ene-1-carbonyl)-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 9-(cyclopent-3-ene-1-carbonyl)-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one is C=CCN1C(=O)CCC12CCCN(C(=O)C1CC=CC1)CC2.
What is the InChIKey of 9-(cyclopent-3-ene-1-carbonyl)-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is BWUKPUMXMALAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-2-12-20-16(21)8-10-18(20)9-5-13-19(14-11-18)17(22)15-6-3-4-7-15/h2-4,15H,1,5-14H2.
What are the key properties of 9-(cyclopent-3-ene-1-carbonyl)-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one?
9-(cyclopent-3-ene-1-carbonyl)-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 302.42 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopent-3-ene-1-carbonyl)-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 131651242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).