(6Z,8S,8aS)-8-methyl-6-[(2R)-2-methylpentylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol

C15H27NO — CID 6443202

IUPAC(6Z,8S,8aS)-8-methyl-6-[(2R)-2-methylpentylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol
SMILESCCC[C@@H](C)/C=C1\CN2CCC[C@H]2[C@@](C)(O)C1
InChIInChI=1S/C15H27NO/c1-4-6-12(2)9-13-10-15(3,17)14-7-5-8-16(14)11-13/h9,12,14,17H,4-8,10-11H2,1-3H3/b13-9-/t12-,14+,15+/m1/s1
InChIKeyZQWCTWAOPTYJIS-KIPOFVFTSA-N
MW237.39 g/mol
LogP2.97
Rot. Bonds3

About (6Z,8S,8aS)-8-methyl-6-[(2R)-2-methylpentylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol

(6Z,8S,8aS)-8-methyl-6-[(2R)-2-methylpentylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol (PubChem CID 6443202) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (6Z,8S,8aS)-8-methyl-6-[(2R)-2-methylpentylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol.

Molecular Properties

Compound Name(6Z,8S,8aS)-8-methyl-6-[(2R)-2-methylpentylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol
PubChem CID6443202
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(6Z,8S,8aS)-8-methyl-6-[(2R)-2-methylpentylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol
SMILESCCC[C@@H](C)/C=C1\CN2CCC[C@H]2[C@@](C)(O)C1
InChIInChI=1S/C15H27NO/c1-4-6-12(2)9-13-10-15(3,17)14-7-5-8-16(14)11-13/h9,12,14,17H,4-8,10-11H2,1-3H3/b13-9-/t12-,14+,15+/m1/s1
InChIKeyZQWCTWAOPTYJIS-KIPOFVFTSA-N
XLogP2.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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,8S,8aS)-8-methyl-6-[(2R)-2-methylpentylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The IUPAC name of (6Z,8S,8aS)-8-methyl-6-[(2R)-2-methylpentylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol (CID 6443202) is (6Z,8S,8aS)-8-methyl-6-[(2R)-2-methylpentylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol.
What is the SMILES notation for (6Z,8S,8aS)-8-methyl-6-[(2R)-2-methylpentylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The canonical SMILES for (6Z,8S,8aS)-8-methyl-6-[(2R)-2-methylpentylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol is CCC[C@@H](C)/C=C1\CN2CCC[C@H]2[C@@](C)(O)C1.
What is the InChIKey of (6Z,8S,8aS)-8-methyl-6-[(2R)-2-methylpentylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The InChIKey is ZQWCTWAOPTYJIS-KIPOFVFTSA-N. The full InChI is InChI=1S/C15H27NO/c1-4-6-12(2)9-13-10-15(3,17)14-7-5-8-16(14)11-13/h9,12,14,17H,4-8,10-11H2,1-3H3/b13-9-/t12-,14+,15+/m1/s1.
What are the key properties of (6Z,8S,8aS)-8-methyl-6-[(2R)-2-methylpentylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
(6Z,8S,8aS)-8-methyl-6-[(2R)-2-methylpentylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol has a molecular weight of 237.39 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8S,8aS)-8-methyl-6-[(2R)-2-methylpentylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol is sourced from PubChem (CID 6443202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).