4-but-3-enyl-9-[(Z)-3-ethenylpent-3-enyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;ethene

C21H34N2O2 — CID 144971300

IUPAC4-but-3-enyl-9-[(Z)-3-ethenylpent-3-enyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;ethene
SMILESC=C.C=CCCN1CC2(CCN(CC/C(C=C)=C/C)CC2)OCC1=O
InChIInChI=1S/C19H30N2O2.C2H4/c1-4-7-11-21-16-19(23-15-18(21)22)9-13-20(14-10-19)12-8-17(5-2)6-3;1-2/h4-6H,1-2,7-16H2,3H3;1-2H2/b17-6+;
InChIKeySJKCCHGIVQSMLG-ZDEOBDHWSA-N
MW346.52 g/mol
LogP3.58
Rot. Bonds7

About 4-but-3-enyl-9-[(Z)-3-ethenylpent-3-enyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;ethene

4-but-3-enyl-9-[(Z)-3-ethenylpent-3-enyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;ethene (PubChem CID 144971300) has the molecular formula C21H34N2O2 and a molecular weight of 346.52 g/mol. Its IUPAC name is 4-but-3-enyl-9-[(Z)-3-ethenylpent-3-enyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;ethene.

Molecular Properties

Compound Name4-but-3-enyl-9-[(Z)-3-ethenylpent-3-enyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;ethene
PubChem CID144971300
Molecular FormulaC21H34N2O2
Molecular Weight346.52 g/mol
Exact Mass346.26
IUPAC Name4-but-3-enyl-9-[(Z)-3-ethenylpent-3-enyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;ethene
SMILESC=C.C=CCCN1CC2(CCN(CC/C(C=C)=C/C)CC2)OCC1=O
InChIInChI=1S/C19H30N2O2.C2H4/c1-4-7-11-21-16-19(23-15-18(21)22)9-13-20(14-10-19)12-8-17(5-2)6-3;1-2/h4-6H,1-2,7-16H2,3H3;1-2H2/b17-6+;
InChIKeySJKCCHGIVQSMLG-ZDEOBDHWSA-N
XLogP3.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

US11649248, Example 24
CID 156290117
9-[Imino-(9-methyl-5,6-dimethylideneundeca-1,3,7,9-tetraen-2-yl)-methylidene-lambda6-sulfanyl]-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 123889913
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-[(3Z)-3-ethenylhexa-3,5-dienyl]-4-[(3E)-3-fluoro-2-iminohexa-3,5-dienyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155632219
9-[imino-[(3Z,7Z,9E)-9-methyl-5,6-dimethylideneundeca-1,3,7,9-tetraen-2-yl]-methylidene-lambda6-sulfanyl]-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162590471
ethene;9-[(Z)-3-ethenylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 144971257
9-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 144971290
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-butyl-9-[(Z)-3-ethenylpent-3-enyl]-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;ethene
CID 144971331
9-[(3Z)-3-ethenylhexa-3,5-dienyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 145311389
(2E,4Z)-5-[2-[4-[(1E,3Z)-hexa-1,3,5-trienyl]-2-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]hepta-2,4,6-trienenitrile
CID 155239718

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enyl-9-[(Z)-3-ethenylpent-3-enyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;ethene?
The IUPAC name of 4-but-3-enyl-9-[(Z)-3-ethenylpent-3-enyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;ethene (CID 144971300) is 4-but-3-enyl-9-[(Z)-3-ethenylpent-3-enyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;ethene.
What is the SMILES notation for 4-but-3-enyl-9-[(Z)-3-ethenylpent-3-enyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;ethene?
The canonical SMILES for 4-but-3-enyl-9-[(Z)-3-ethenylpent-3-enyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;ethene is C=C.C=CCCN1CC2(CCN(CC/C(C=C)=C/C)CC2)OCC1=O.
What is the InChIKey of 4-but-3-enyl-9-[(Z)-3-ethenylpent-3-enyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;ethene?
The InChIKey is SJKCCHGIVQSMLG-ZDEOBDHWSA-N. The full InChI is InChI=1S/C19H30N2O2.C2H4/c1-4-7-11-21-16-19(23-15-18(21)22)9-13-20(14-10-19)12-8-17(5-2)6-3;1-2/h4-6H,1-2,7-16H2,3H3;1-2H2/b17-6+;.
What are the key properties of 4-but-3-enyl-9-[(Z)-3-ethenylpent-3-enyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;ethene?
4-but-3-enyl-9-[(Z)-3-ethenylpent-3-enyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;ethene has a molecular weight of 346.52 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enyl-9-[(Z)-3-ethenylpent-3-enyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;ethene is sourced from PubChem (CID 144971300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).