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

C19H30N2O2 — CID 144971301

IUPAC4-but-3-enyl-9-[(Z)-3-ethenylpent-3-enyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESC=CCCN1CC2(CCN(CC/C(C=C)=C/C)CC2)OCC1=O
InChIInChI=1S/C19H30N2O2/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/h4-6H,1-2,7-16H2,3H3/b17-6+
InChIKeyRAENWYIZYAWERI-UBKPWBPPSA-N
MW318.46 g/mol
LogP2.78
Rot. Bonds7

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

4-but-3-enyl-9-[(Z)-3-ethenylpent-3-enyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 144971301) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 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.

Molecular Properties

Compound Name4-but-3-enyl-9-[(Z)-3-ethenylpent-3-enyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID144971301
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name4-but-3-enyl-9-[(Z)-3-ethenylpent-3-enyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESC=CCCN1CC2(CCN(CC/C(C=C)=C/C)CC2)OCC1=O
InChIInChI=1S/C19H30N2O2/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/h4-6H,1-2,7-16H2,3H3/b17-6+
InChIKeyRAENWYIZYAWERI-UBKPWBPPSA-N
XLogP2.78
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.78
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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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?
The IUPAC name of 4-but-3-enyl-9-[(Z)-3-ethenylpent-3-enyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 144971301) is 4-but-3-enyl-9-[(Z)-3-ethenylpent-3-enyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
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?
The canonical SMILES for 4-but-3-enyl-9-[(Z)-3-ethenylpent-3-enyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is 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?
The InChIKey is RAENWYIZYAWERI-UBKPWBPPSA-N. The full InChI is InChI=1S/C19H30N2O2/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/h4-6H,1-2,7-16H2,3H3/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?
4-but-3-enyl-9-[(Z)-3-ethenylpent-3-enyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 318.46 g/mol, XLogP of 2.78, 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 is sourced from PubChem (CID 144971301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).