5-[(E)-non-2-enyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

C17H29NO — CID 134983642

IUPAC5-[(E)-non-2-enyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCCCCCC/C=C/CC1CCCC2CCC(=O)N12
InChIInChI=1S/C17H29NO/c1-2-3-4-5-6-7-8-10-15-11-9-12-16-13-14-17(19)18(15)16/h7-8,15-16H,2-6,9-14H2,1H3/b8-7+
InChIKeyFSFYQXDZPHGWNB-BQYQJAHWSA-N
MW263.42 g/mol
LogP4.45
Rot. Bonds7

About 5-[(E)-non-2-enyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

5-[(E)-non-2-enyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 134983642) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 5-[(E)-non-2-enyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name5-[(E)-non-2-enyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID134983642
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name5-[(E)-non-2-enyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCCCCCC/C=C/CC1CCCC2CCC(=O)N12
InChIInChI=1S/C17H29NO/c1-2-3-4-5-6-7-8-10-15-11-9-12-16-13-14-17(19)18(15)16/h7-8,15-16H,2-6,9-14H2,1H3/b8-7+
InChIKeyFSFYQXDZPHGWNB-BQYQJAHWSA-N
XLogP4.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-non-2-enyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The IUPAC name of 5-[(E)-non-2-enyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 134983642) is 5-[(E)-non-2-enyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
What is the SMILES notation for 5-[(E)-non-2-enyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The canonical SMILES for 5-[(E)-non-2-enyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is CCCCCC/C=C/CC1CCCC2CCC(=O)N12.
What is the InChIKey of 5-[(E)-non-2-enyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is FSFYQXDZPHGWNB-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H29NO/c1-2-3-4-5-6-7-8-10-15-11-9-12-16-13-14-17(19)18(15)16/h7-8,15-16H,2-6,9-14H2,1H3/b8-7+.
What are the key properties of 5-[(E)-non-2-enyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
5-[(E)-non-2-enyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one has a molecular weight of 263.42 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-non-2-enyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 134983642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).