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

C23H40N2O2 — CID 144971331

IUPAC2-butyl-9-[(Z)-3-ethenylpent-3-enyl]-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;ethene
SMILESC=C.C=C/C(=C\C)CCN1CCC2(CC1)CN(CC)C(=O)C(CCCC)O2
InChIInChI=1S/C21H36N2O2.C2H4/c1-5-9-10-19-20(24)23(8-4)17-21(25-19)12-15-22(16-13-21)14-11-18(6-2)7-3;1-2/h6-7,19H,2,5,8-17H2,1,3-4H3;1-2H2/b18-7+;
InChIKeyAVAMBBCNBRPFQH-CWSPIBBISA-N
MW376.59 g/mol
LogP4.58
Rot. Bonds8

About 2-butyl-9-[(Z)-3-ethenylpent-3-enyl]-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;ethene

2-butyl-9-[(Z)-3-ethenylpent-3-enyl]-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;ethene (PubChem CID 144971331) has the molecular formula C23H40N2O2 and a molecular weight of 376.59 g/mol. Its IUPAC name is 2-butyl-9-[(Z)-3-ethenylpent-3-enyl]-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;ethene.

Molecular Properties

Compound Name2-butyl-9-[(Z)-3-ethenylpent-3-enyl]-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;ethene
PubChem CID144971331
Molecular FormulaC23H40N2O2
Molecular Weight376.59 g/mol
Exact Mass376.31
IUPAC Name2-butyl-9-[(Z)-3-ethenylpent-3-enyl]-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;ethene
SMILESC=C.C=C/C(=C\C)CCN1CCC2(CC1)CN(CC)C(=O)C(CCCC)O2
InChIInChI=1S/C21H36N2O2.C2H4/c1-5-9-10-19-20(24)23(8-4)17-21(25-19)12-15-22(16-13-21)14-11-18(6-2)7-3;1-2/h6-7,19H,2,5,8-17H2,1,3-4H3;1-2H2/b18-7+;
InChIKeyAVAMBBCNBRPFQH-CWSPIBBISA-N
XLogP4.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.59
LogP ≤ 54.58
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

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
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
5-[1-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidin-4-yl]-7-propan-2-yl-4-oxa-7-azaspiro[2.5]octan-8-one
CID 145297788
(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
(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;hydrochloride
CID 160310106
[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-[(2R,5S)-5-methyloxan-2-yl]methanone;ethane;propane
CID 163401863
9-[(1S)-cyclohex-3-ene-1-carbonyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 129620251
9-[(1R)-cyclohex-3-ene-1-carbonyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 129620252
4-[2-(Dimethylamino)ethyl]-9-(1-methylcyclohex-3-ene-1-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131689893

Frequently Asked Questions

What is the IUPAC name of 2-butyl-9-[(Z)-3-ethenylpent-3-enyl]-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;ethene?
The IUPAC name of 2-butyl-9-[(Z)-3-ethenylpent-3-enyl]-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;ethene (CID 144971331) is 2-butyl-9-[(Z)-3-ethenylpent-3-enyl]-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;ethene.
What is the SMILES notation for 2-butyl-9-[(Z)-3-ethenylpent-3-enyl]-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;ethene?
The canonical SMILES for 2-butyl-9-[(Z)-3-ethenylpent-3-enyl]-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;ethene is C=C.C=C/C(=C\C)CCN1CCC2(CC1)CN(CC)C(=O)C(CCCC)O2.
What is the InChIKey of 2-butyl-9-[(Z)-3-ethenylpent-3-enyl]-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;ethene?
The InChIKey is AVAMBBCNBRPFQH-CWSPIBBISA-N. The full InChI is InChI=1S/C21H36N2O2.C2H4/c1-5-9-10-19-20(24)23(8-4)17-21(25-19)12-15-22(16-13-21)14-11-18(6-2)7-3;1-2/h6-7,19H,2,5,8-17H2,1,3-4H3;1-2H2/b18-7+;.
What are the key properties of 2-butyl-9-[(Z)-3-ethenylpent-3-enyl]-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;ethene?
2-butyl-9-[(Z)-3-ethenylpent-3-enyl]-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;ethene has a molecular weight of 376.59 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-9-[(Z)-3-ethenylpent-3-enyl]-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;ethene is sourced from PubChem (CID 144971331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).