(6Z)-6-[(E)-6-hydroxy-2,5-dimethylhept-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol

C18H31NO2 — CID 91724242

IUPAC(6Z)-6-[(E)-6-hydroxy-2,5-dimethylhept-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
SMILESC/C(=C\CC(C)/C=C1\CN2CCCC2C(C)(O)C1)C(C)O
InChIInChI=1S/C18H31NO2/c1-13(7-8-14(2)15(3)20)10-16-11-18(4,21)17-6-5-9-19(17)12-16/h8,10,13,15,17,20-21H,5-7,9,11-12H2,1-4H3/b14-8+,16-10-
InChIKeyDOZWSDZZUHZNRZ-DGSKHJRPSA-N
MW293.45 g/mol
LogP2.89
Rot. Bonds4

About (6Z)-6-[(E)-6-hydroxy-2,5-dimethylhept-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol

(6Z)-6-[(E)-6-hydroxy-2,5-dimethylhept-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol (PubChem CID 91724242) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is (6Z)-6-[(E)-6-hydroxy-2,5-dimethylhept-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol.

Molecular Properties

Compound Name(6Z)-6-[(E)-6-hydroxy-2,5-dimethylhept-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
PubChem CID91724242
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name(6Z)-6-[(E)-6-hydroxy-2,5-dimethylhept-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
SMILESC/C(=C\CC(C)/C=C1\CN2CCCC2C(C)(O)C1)C(C)O
InChIInChI=1S/C18H31NO2/c1-13(7-8-14(2)15(3)20)10-16-11-18(4,21)17-6-5-9-19(17)12-16/h8,10,13,15,17,20-21H,5-7,9,11-12H2,1-4H3/b14-8+,16-10-
InChIKeyDOZWSDZZUHZNRZ-DGSKHJRPSA-N
XLogP2.89
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (6Z)-6-[(E)-6-hydroxy-2,5-dimethylhept-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The IUPAC name of (6Z)-6-[(E)-6-hydroxy-2,5-dimethylhept-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol (CID 91724242) is (6Z)-6-[(E)-6-hydroxy-2,5-dimethylhept-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol.
What is the SMILES notation for (6Z)-6-[(E)-6-hydroxy-2,5-dimethylhept-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The canonical SMILES for (6Z)-6-[(E)-6-hydroxy-2,5-dimethylhept-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol is C/C(=C\CC(C)/C=C1\CN2CCCC2C(C)(O)C1)C(C)O.
What is the InChIKey of (6Z)-6-[(E)-6-hydroxy-2,5-dimethylhept-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The InChIKey is DOZWSDZZUHZNRZ-DGSKHJRPSA-N. The full InChI is InChI=1S/C18H31NO2/c1-13(7-8-14(2)15(3)20)10-16-11-18(4,21)17-6-5-9-19(17)12-16/h8,10,13,15,17,20-21H,5-7,9,11-12H2,1-4H3/b14-8+,16-10-.
What are the key properties of (6Z)-6-[(E)-6-hydroxy-2,5-dimethylhept-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
(6Z)-6-[(E)-6-hydroxy-2,5-dimethylhept-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol has a molecular weight of 293.45 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-[(E)-6-hydroxy-2,5-dimethylhept-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol is sourced from PubChem (CID 91724242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).