(6Z)-6-(7-hydroxy-2-methylheptylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol

C17H31NO2 — CID 91724244

IUPAC(6Z)-6-(7-hydroxy-2-methylheptylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
SMILESCC(/C=C1\CN2CCCC2C(C)(O)C1)CCCCCO
InChIInChI=1S/C17H31NO2/c1-14(7-4-3-5-10-19)11-15-12-17(2,20)16-8-6-9-18(16)13-15/h11,14,16,19-20H,3-10,12-13H2,1-2H3/b15-11-
InChIKeyGCGQJNNDWSXNBY-PTNGSMBKSA-N
MW281.44 g/mol
LogP2.72
Rot. Bonds6

About (6Z)-6-(7-hydroxy-2-methylheptylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol

(6Z)-6-(7-hydroxy-2-methylheptylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol (PubChem CID 91724244) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is (6Z)-6-(7-hydroxy-2-methylheptylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol.

Molecular Properties

Compound Name(6Z)-6-(7-hydroxy-2-methylheptylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
PubChem CID91724244
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name(6Z)-6-(7-hydroxy-2-methylheptylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
SMILESCC(/C=C1\CN2CCCC2C(C)(O)C1)CCCCCO
InChIInChI=1S/C17H31NO2/c1-14(7-4-3-5-10-19)11-15-12-17(2,20)16-8-6-9-18(16)13-15/h11,14,16,19-20H,3-10,12-13H2,1-2H3/b15-11-
InChIKeyGCGQJNNDWSXNBY-PTNGSMBKSA-N
XLogP2.72
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (6Z)-6-(7-hydroxy-2-methylheptylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The IUPAC name of (6Z)-6-(7-hydroxy-2-methylheptylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol (CID 91724244) is (6Z)-6-(7-hydroxy-2-methylheptylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol.
What is the SMILES notation for (6Z)-6-(7-hydroxy-2-methylheptylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The canonical SMILES for (6Z)-6-(7-hydroxy-2-methylheptylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol is CC(/C=C1\CN2CCCC2C(C)(O)C1)CCCCCO.
What is the InChIKey of (6Z)-6-(7-hydroxy-2-methylheptylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The InChIKey is GCGQJNNDWSXNBY-PTNGSMBKSA-N. The full InChI is InChI=1S/C17H31NO2/c1-14(7-4-3-5-10-19)11-15-12-17(2,20)16-8-6-9-18(16)13-15/h11,14,16,19-20H,3-10,12-13H2,1-2H3/b15-11-.
What are the key properties of (6Z)-6-(7-hydroxy-2-methylheptylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
(6Z)-6-(7-hydroxy-2-methylheptylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol has a molecular weight of 281.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-(7-hydroxy-2-methylheptylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol is sourced from PubChem (CID 91724244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).