2-(4-methylpent-3-enyl)-1,6,7,8,9,9a-hexahydroquinolizin-4-one

C15H23NO — CID 171396612

IUPAC2-(4-methylpent-3-enyl)-1,6,7,8,9,9a-hexahydroquinolizin-4-one
SMILESCC(C)=CCCC1=CC(=O)N2CCCCC2C1
InChIInChI=1S/C15H23NO/c1-12(2)6-5-7-13-10-14-8-3-4-9-16(14)15(17)11-13/h6,11,14H,3-5,7-10H2,1-2H3
InChIKeyIUZZPRIUZNLIAN-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.44
Rot. Bonds3

About 2-(4-methylpent-3-enyl)-1,6,7,8,9,9a-hexahydroquinolizin-4-one

2-(4-methylpent-3-enyl)-1,6,7,8,9,9a-hexahydroquinolizin-4-one (PubChem CID 171396612) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-(4-methylpent-3-enyl)-1,6,7,8,9,9a-hexahydroquinolizin-4-one.

Molecular Properties

Compound Name2-(4-methylpent-3-enyl)-1,6,7,8,9,9a-hexahydroquinolizin-4-one
PubChem CID171396612
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-(4-methylpent-3-enyl)-1,6,7,8,9,9a-hexahydroquinolizin-4-one
SMILESCC(C)=CCCC1=CC(=O)N2CCCCC2C1
InChIInChI=1S/C15H23NO/c1-12(2)6-5-7-13-10-14-8-3-4-9-16(14)15(17)11-13/h6,11,14H,3-5,7-10H2,1-2H3
InChIKeyIUZZPRIUZNLIAN-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpent-3-enyl)-1,6,7,8,9,9a-hexahydroquinolizin-4-one?
The IUPAC name of 2-(4-methylpent-3-enyl)-1,6,7,8,9,9a-hexahydroquinolizin-4-one (CID 171396612) is 2-(4-methylpent-3-enyl)-1,6,7,8,9,9a-hexahydroquinolizin-4-one.
What is the SMILES notation for 2-(4-methylpent-3-enyl)-1,6,7,8,9,9a-hexahydroquinolizin-4-one?
The canonical SMILES for 2-(4-methylpent-3-enyl)-1,6,7,8,9,9a-hexahydroquinolizin-4-one is CC(C)=CCCC1=CC(=O)N2CCCCC2C1.
What is the InChIKey of 2-(4-methylpent-3-enyl)-1,6,7,8,9,9a-hexahydroquinolizin-4-one?
The InChIKey is IUZZPRIUZNLIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(2)6-5-7-13-10-14-8-3-4-9-16(14)15(17)11-13/h6,11,14H,3-5,7-10H2,1-2H3.
What are the key properties of 2-(4-methylpent-3-enyl)-1,6,7,8,9,9a-hexahydroquinolizin-4-one?
2-(4-methylpent-3-enyl)-1,6,7,8,9,9a-hexahydroquinolizin-4-one has a molecular weight of 233.35 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpent-3-enyl)-1,6,7,8,9,9a-hexahydroquinolizin-4-one is sourced from PubChem (CID 171396612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).