(6Z,8R)-6-(2-methylpropylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol

C12H21NO — CID 101210638

IUPAC(6Z,8R)-6-(2-methylpropylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol
SMILESCC(C)/C=C1/C[C@@H](O)C2CCCN2C1
InChIInChI=1S/C12H21NO/c1-9(2)6-10-7-12(14)11-4-3-5-13(11)8-10/h6,9,11-12,14H,3-5,7-8H2,1-2H3/b10-6-/t11?,12-/m1/s1
InChIKeyXRVZEAWIPAVCEI-WPHBZYBLSA-N
MW195.31 g/mol
LogP1.80
Rot. Bonds1

About (6Z,8R)-6-(2-methylpropylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol

(6Z,8R)-6-(2-methylpropylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol (PubChem CID 101210638) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (6Z,8R)-6-(2-methylpropylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol.

Molecular Properties

Compound Name(6Z,8R)-6-(2-methylpropylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol
PubChem CID101210638
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(6Z,8R)-6-(2-methylpropylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol
SMILESCC(C)/C=C1/C[C@@H](O)C2CCCN2C1
InChIInChI=1S/C12H21NO/c1-9(2)6-10-7-12(14)11-4-3-5-13(11)8-10/h6,9,11-12,14H,3-5,7-8H2,1-2H3/b10-6-/t11?,12-/m1/s1
InChIKeyXRVZEAWIPAVCEI-WPHBZYBLSA-N
XLogP1.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pumiliotoxin 251D
CID 6440480
Pumiliotoxin B
CID 11393144
4-Octene-2,3-diol, 8-((8S,8aS)-hexahydro-8-hydroxy-8-methyl-6(5H)-indolizinylidene)-4,7-dimethyl-, (2R,3R,4E,7R,8Z)-
CID 6437355
Pumiliotoxin A
CID 10979740
8-Indolizinol, octahydro-6-(6-hydroxy-2,5-dimethyl-4-octenylidene)-8-methyl-, (8S-(6Z(2S*,4E,6R*),8-alpha,8a-beta))-
CID 6434971
(6Z,8S,8aS)-6-[(2R)-5-hydroxy-2-methylhexylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
CID 13995831
(6Z,8S,8aS)-6-[(2R)-4-hydroxy-2-methylbutylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
CID 13921284
(6Z,8S,8aS)-6-[(2S)-4-hydroxy-2-methylbutylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
CID 13921285
(E,2S,3R,7R,8Z)-8-[(8S,8aS)-8-hydroxy-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-6-ylidene]-4,7-dimethyloct-4-ene-2,3-diol
CID 13921297
(E,2S,3S,7R,8Z)-8-[(8S,8aS)-8-hydroxy-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-6-ylidene]-4,7-dimethyloct-4-ene-2,3-diol
CID 13921298
(E,2R,3R,7S,8Z)-8-[(8S,8aS)-8-hydroxy-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-6-ylidene]-4,7-dimethyloct-4-ene-2,3-diol
CID 13921299
(6Z,8S,8aS)-6-[(E,2R)-6-hydroxy-2,5-dimethyloct-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
CID 13995823

Frequently Asked Questions

What is the IUPAC name of (6Z,8R)-6-(2-methylpropylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol?
The IUPAC name of (6Z,8R)-6-(2-methylpropylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol (CID 101210638) is (6Z,8R)-6-(2-methylpropylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol.
What is the SMILES notation for (6Z,8R)-6-(2-methylpropylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol?
The canonical SMILES for (6Z,8R)-6-(2-methylpropylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol is CC(C)/C=C1/C[C@@H](O)C2CCCN2C1.
What is the InChIKey of (6Z,8R)-6-(2-methylpropylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol?
The InChIKey is XRVZEAWIPAVCEI-WPHBZYBLSA-N. The full InChI is InChI=1S/C12H21NO/c1-9(2)6-10-7-12(14)11-4-3-5-13(11)8-10/h6,9,11-12,14H,3-5,7-8H2,1-2H3/b10-6-/t11?,12-/m1/s1.
What are the key properties of (6Z,8R)-6-(2-methylpropylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol?
(6Z,8R)-6-(2-methylpropylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol has a molecular weight of 195.31 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8R)-6-(2-methylpropylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol is sourced from PubChem (CID 101210638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).