(6Z)-6-(4-hydroxy-2-methylpentylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol

C15H27NO2 — CID 91724243

IUPAC(6Z)-6-(4-hydroxy-2-methylpentylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
SMILESCC(O)CC(C)/C=C1\CN2CCCC2C(C)(O)C1
InChIInChI=1S/C15H27NO2/c1-11(7-12(2)17)8-13-9-15(3,18)14-5-4-6-16(14)10-13/h8,11-12,14,17-18H,4-7,9-10H2,1-3H3/b13-8-
InChIKeyYALFEJVZCJKMCD-JYRVWZFOSA-N
MW253.39 g/mol
LogP1.94
Rot. Bonds3

About (6Z)-6-(4-hydroxy-2-methylpentylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol

(6Z)-6-(4-hydroxy-2-methylpentylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol (PubChem CID 91724243) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (6Z)-6-(4-hydroxy-2-methylpentylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol.

Molecular Properties

Compound Name(6Z)-6-(4-hydroxy-2-methylpentylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
PubChem CID91724243
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(6Z)-6-(4-hydroxy-2-methylpentylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
SMILESCC(O)CC(C)/C=C1\CN2CCCC2C(C)(O)C1
InChIInChI=1S/C15H27NO2/c1-11(7-12(2)17)8-13-9-15(3,18)14-5-4-6-16(14)10-13/h8,11-12,14,17-18H,4-7,9-10H2,1-3H3/b13-8-
InChIKeyYALFEJVZCJKMCD-JYRVWZFOSA-N
XLogP1.94
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6Z,8S,8aS)-8-methyl-6-(2-methylpropylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol
CID 10987517
(6Z,8S,8aS)-8-methyl-6-[(2R)-2-methyloctylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol
CID 10356275
(E,2R,3R,7R,8Z)-8-[(8S)-8-hydroxy-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-6-ylidene]-4,7-dimethyloct-4-ene-2,3-diol
CID 101173204
(E,7R,8Z)-8-[(1S)-1-hydroxy-1-methyl-4,6,7,8,9,9a-hexahydro-2H-quinolizin-3-ylidene]-4,7-dimethyloct-4-en-2-one
CID 101351564
6-(6-hydroxy-2,5-dimethyloctylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizine-7,8-diol
CID 551111
(E,8Z)-4,7-dimethyl-8-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)oct-4-en-3-ol
CID 91721015
cis-(1R,2R)-1-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 101409360
6-chloro-6,8-dimethyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
CID 86147985
(1S,3E)-3-(2-methylpropylidene)-1,2,4,6,7,8,9,9a-octahydroquinolizin-1-ol
CID 177401033
(1S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 163074803
(1R,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 101202509
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-4-methylpentan-2-ol
CID 107151590

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-(4-hydroxy-2-methylpentylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The IUPAC name of (6Z)-6-(4-hydroxy-2-methylpentylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol (CID 91724243) is (6Z)-6-(4-hydroxy-2-methylpentylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol.
What is the SMILES notation for (6Z)-6-(4-hydroxy-2-methylpentylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The canonical SMILES for (6Z)-6-(4-hydroxy-2-methylpentylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol is CC(O)CC(C)/C=C1\CN2CCCC2C(C)(O)C1.
What is the InChIKey of (6Z)-6-(4-hydroxy-2-methylpentylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The InChIKey is YALFEJVZCJKMCD-JYRVWZFOSA-N. The full InChI is InChI=1S/C15H27NO2/c1-11(7-12(2)17)8-13-9-15(3,18)14-5-4-6-16(14)10-13/h8,11-12,14,17-18H,4-7,9-10H2,1-3H3/b13-8-.
What are the key properties of (6Z)-6-(4-hydroxy-2-methylpentylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
(6Z)-6-(4-hydroxy-2-methylpentylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol has a molecular weight of 253.39 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-(4-hydroxy-2-methylpentylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol is sourced from PubChem (CID 91724243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).