9-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C18H28N2O2 — CID 144971330

IUPAC9-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESC=C/C=C(\C=C)CCN1CCC2(CC1)CN(C)C(=O)C(C)O2
InChIInChI=1S/C18H28N2O2/c1-5-7-16(6-2)8-11-20-12-9-18(10-13-20)14-19(4)17(21)15(3)22-18/h5-7,15H,1-2,8-14H2,3-4H3/b16-7+
InChIKeyDXVVBPKKVGELNB-FRKPEAEDSA-N
MW304.43 g/mol
LogP2.39
Rot. Bonds5

About 9-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 144971330) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 9-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID144971330
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name9-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESC=C/C=C(\C=C)CCN1CCC2(CC1)CN(C)C(=O)C(C)O2
InChIInChI=1S/C18H28N2O2/c1-5-7-16(6-2)8-11-20-12-9-18(10-13-20)14-19(4)17(21)15(3)22-18/h5-7,15H,1-2,8-14H2,3-4H3/b16-7+
InChIKeyDXVVBPKKVGELNB-FRKPEAEDSA-N
XLogP2.39
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 144971330) is 9-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is C=C/C=C(\C=C)CCN1CCC2(CC1)CN(C)C(=O)C(C)O2.
What is the InChIKey of 9-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is DXVVBPKKVGELNB-FRKPEAEDSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-5-7-16(6-2)8-11-20-12-9-18(10-13-20)14-19(4)17(21)15(3)22-18/h5-7,15H,1-2,8-14H2,3-4H3/b16-7+.
What are the key properties of 9-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 304.43 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 144971330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).