9-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C16H24N2O2 — CID 144971290

IUPAC9-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESC=C/C=C(\C=C)CCN1CCC2(CC1)CNC(=O)CO2
InChIInChI=1S/C16H24N2O2/c1-3-5-14(4-2)6-9-18-10-7-16(8-11-18)13-17-15(19)12-20-16/h3-5H,1-2,6-13H2,(H,17,19)/b14-5+
InChIKeyANRNWQWWRASDOV-LHHJGKSTSA-N
MW276.38 g/mol
LogP1.66
Rot. Bonds5

About 9-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 144971290) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 9-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID144971290
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name9-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESC=C/C=C(\C=C)CCN1CCC2(CC1)CNC(=O)CO2
InChIInChI=1S/C16H24N2O2/c1-3-5-14(4-2)6-9-18-10-7-16(8-11-18)13-17-15(19)12-20-16/h3-5H,1-2,6-13H2,(H,17,19)/b14-5+
InChIKeyANRNWQWWRASDOV-LHHJGKSTSA-N
XLogP1.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-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

Cyclopent-3-en-1-yl(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 97372312
Cyclopent-3-en-1-yl(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone;hydrochloride
CID 118741570
2-ethyl-9-[(3Z)-3-(1-fluoroethenyl)hexa-3,5-dienyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 144971324
9-[(2E)-2-ethenylpenta-2,4-dienyl]-2,2-difluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 145044417
N-[(4-cyclohexa-1,3-dien-1-ylpiperidin-4-yl)methyl]-2-methoxy-N-methylacetamide
CID 89672745
2-[2-[(4S)-4-(methoxymethyl)cyclohexa-1,5-dien-1-yl]-4-(methylamino)butoxy]-1-morpholin-4-ylethanone
CID 143507373
potassium N-[[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperidin-1-id-4-yl]methyl]-2-methoxyacetamide
CID 143792254
ethene;9-[(Z)-3-ethenylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 144971257
4-but-3-enyl-9-[(Z)-3-ethenylpent-3-enyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;ethene
CID 144971300
9-[(3Z)-3-ethenylhexa-3,5-dienyl]-4-methyl-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 144971327
butane;9-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 144971329
2-ethyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;N-ethylpent-4-en-1-amine
CID 153344594

Frequently Asked Questions

What is the IUPAC name of 9-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 144971290) is 9-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is C=C/C=C(\C=C)CCN1CCC2(CC1)CNC(=O)CO2.
What is the InChIKey of 9-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is ANRNWQWWRASDOV-LHHJGKSTSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-5-14(4-2)6-9-18-10-7-16(8-11-18)13-17-15(19)12-20-16/h3-5H,1-2,6-13H2,(H,17,19)/b14-5+.
What are the key properties of 9-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 276.38 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 144971290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).