9-[(Z)-3-ethenylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C16H26N2O2 — CID 144971258

IUPAC9-[(Z)-3-ethenylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESC=C/C(=C\C)CCN1CCC2(CC1)CNC(=O)C(C)O2
InChIInChI=1S/C16H26N2O2/c1-4-14(5-2)6-9-18-10-7-16(8-11-18)12-17-15(19)13(3)20-16/h4-5,13H,1,6-12H2,2-3H3,(H,17,19)/b14-5+
InChIKeyISVZEIZINJKRAL-LHHJGKSTSA-N
MW278.40 g/mol
LogP1.88
Rot. Bonds4

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

9-[(Z)-3-ethenylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 144971258) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 9-[(Z)-3-ethenylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[(Z)-3-ethenylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID144971258
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name9-[(Z)-3-ethenylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESC=C/C(=C\C)CCN1CCC2(CC1)CNC(=O)C(C)O2
InChIInChI=1S/C16H26N2O2/c1-4-14(5-2)6-9-18-10-7-16(8-11-18)12-17-15(19)13(3)20-16/h4-5,13H,1,6-12H2,2-3H3,(H,17,19)/b14-5+
InChIKeyISVZEIZINJKRAL-LHHJGKSTSA-N
XLogP1.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.88
H-Bond Donors ≤ 51
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-[(Z)-3-ethenylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[(Z)-3-ethenylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 144971258) is 9-[(Z)-3-ethenylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[(Z)-3-ethenylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[(Z)-3-ethenylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is C=C/C(=C\C)CCN1CCC2(CC1)CNC(=O)C(C)O2.
What is the InChIKey of 9-[(Z)-3-ethenylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is ISVZEIZINJKRAL-LHHJGKSTSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-14(5-2)6-9-18-10-7-16(8-11-18)12-17-15(19)13(3)20-16/h4-5,13H,1,6-12H2,2-3H3,(H,17,19)/b14-5+.
What are the key properties of 9-[(Z)-3-ethenylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-[(Z)-3-ethenylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 278.40 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(Z)-3-ethenylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 144971258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).