8-[(E)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride

C20H32ClN — CID 70692902

IUPAC8-[(E)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride
SMILESCCCCCCCC/C=C/c1c(C)cc(C)[n+]2c1CCC2.[Cl-]
InChIInChI=1S/C20H32N.ClH/c1-4-5-6-7-8-9-10-11-13-19-17(2)16-18(3)21-15-12-14-20(19)21;/h11,13,16H,4-10,12,14-15H2,1-3H3;1H/q+1;/p-1/b13-11+;
InChIKeyOINFQEAHRXUZRF-BNSHTTSQSA-M
MW321.94 g/mol
LogP2.30
Rot. Bonds8

About 8-[(E)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride

8-[(E)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride (PubChem CID 70692902) has the molecular formula C20H32ClN and a molecular weight of 321.94 g/mol. Its IUPAC name is 8-[(E)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride.

Molecular Properties

Compound Name8-[(E)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride
PubChem CID70692902
Molecular FormulaC20H32ClN
Molecular Weight321.94 g/mol
Exact Mass321.22
IUPAC Name8-[(E)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride
SMILESCCCCCCCC/C=C/c1c(C)cc(C)[n+]2c1CCC2.[Cl-]
InChIInChI=1S/C20H32N.ClH/c1-4-5-6-7-8-9-10-11-13-19-17(2)16-18(3)21-15-12-14-20(19)21;/h11,13,16H,4-10,12,14-15H2,1-3H3;1H/q+1;/p-1/b13-11+;
InChIKeyOINFQEAHRXUZRF-BNSHTTSQSA-M
XLogP2.30
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.94
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[(E)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride?
The IUPAC name of 8-[(E)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride (CID 70692902) is 8-[(E)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride.
What is the SMILES notation for 8-[(E)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride?
The canonical SMILES for 8-[(E)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride is CCCCCCCC/C=C/c1c(C)cc(C)[n+]2c1CCC2.[Cl-].
What is the InChIKey of 8-[(E)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride?
The InChIKey is OINFQEAHRXUZRF-BNSHTTSQSA-M. The full InChI is InChI=1S/C20H32N.ClH/c1-4-5-6-7-8-9-10-11-13-19-17(2)16-18(3)21-15-12-14-20(19)21;/h11,13,16H,4-10,12,14-15H2,1-3H3;1H/q+1;/p-1/b13-11+;.
What are the key properties of 8-[(E)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride?
8-[(E)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride has a molecular weight of 321.94 g/mol, XLogP of 2.30, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(E)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride is sourced from PubChem (CID 70692902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).