(6Z,8S,8aS)-8-methyl-6-(2-methylpropylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol

C13H23NO — CID 10987517

IUPAC(6Z,8S,8aS)-8-methyl-6-(2-methylpropylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol
SMILESCC(C)/C=C1\CN2CCC[C@H]2[C@@](C)(O)C1
InChIInChI=1S/C13H23NO/c1-10(2)7-11-8-13(3,15)12-5-4-6-14(12)9-11/h7,10,12,15H,4-6,8-9H2,1-3H3/b11-7-/t12-,13-/m0/s1
InChIKeyXAXHWNNCXDDRBC-LVRHIEOCSA-N
MW209.33 g/mol
LogP2.19
Rot. Bonds1

About (6Z,8S,8aS)-8-methyl-6-(2-methylpropylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol

(6Z,8S,8aS)-8-methyl-6-(2-methylpropylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol (PubChem CID 10987517) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (6Z,8S,8aS)-8-methyl-6-(2-methylpropylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol.

Molecular Properties

Compound Name(6Z,8S,8aS)-8-methyl-6-(2-methylpropylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol
PubChem CID10987517
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(6Z,8S,8aS)-8-methyl-6-(2-methylpropylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol
SMILESCC(C)/C=C1\CN2CCC[C@H]2[C@@](C)(O)C1
InChIInChI=1S/C13H23NO/c1-10(2)7-11-8-13(3,15)12-5-4-6-14(12)9-11/h7,10,12,15H,4-6,8-9H2,1-3H3/b11-7-/t12-,13-/m0/s1
InChIKeyXAXHWNNCXDDRBC-LVRHIEOCSA-N
XLogP2.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6Z,8S,8aS)-8-methyl-6-(2-methylpropylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6Z)-6-(4-hydroxy-2-methylpentylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
CID 91724243
(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
(1S,3E)-3-(2-methylpropylidene)-1,2,4,6,7,8,9,9a-octahydroquinolizin-1-ol
CID 177401033
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
6-(6-hydroxy-2,5-dimethyloctylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizine-7,8-diol
CID 551111
(2R,3E,9aS)-3-(2-methylpropylidene)-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-ol
CID 135075674
(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-methyl-2-morpholin-4-ylcyclohexan-1-ol;prop-1-ene
CID 143573715

Frequently Asked Questions

What is the IUPAC name of (6Z,8S,8aS)-8-methyl-6-(2-methylpropylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The IUPAC name of (6Z,8S,8aS)-8-methyl-6-(2-methylpropylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol (CID 10987517) is (6Z,8S,8aS)-8-methyl-6-(2-methylpropylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol.
What is the SMILES notation for (6Z,8S,8aS)-8-methyl-6-(2-methylpropylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The canonical SMILES for (6Z,8S,8aS)-8-methyl-6-(2-methylpropylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol is CC(C)/C=C1\CN2CCC[C@H]2[C@@](C)(O)C1.
What is the InChIKey of (6Z,8S,8aS)-8-methyl-6-(2-methylpropylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The InChIKey is XAXHWNNCXDDRBC-LVRHIEOCSA-N. The full InChI is InChI=1S/C13H23NO/c1-10(2)7-11-8-13(3,15)12-5-4-6-14(12)9-11/h7,10,12,15H,4-6,8-9H2,1-3H3/b11-7-/t12-,13-/m0/s1.
What are the key properties of (6Z,8S,8aS)-8-methyl-6-(2-methylpropylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
(6Z,8S,8aS)-8-methyl-6-(2-methylpropylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol has a molecular weight of 209.33 g/mol, XLogP of 2.19, 1 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-(2-methylpropylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol is sourced from PubChem (CID 10987517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).