2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine-6,8-diol

C9H15NO2 — CID 130152183

IUPAC2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine-6,8-diol
SMILESC=C1CC2C(O)CC(O)CN2C1
InChIInChI=1S/C9H15NO2/c1-6-2-8-9(12)3-7(11)5-10(8)4-6/h7-9,11-12H,1-5H2
InChIKeyHVPSWUMLRWLQOB-UHFFFAOYSA-N
MW169.22 g/mol
LogP-0.26
Rot. Bonds

About 2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine-6,8-diol

2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine-6,8-diol (PubChem CID 130152183) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine-6,8-diol.

Molecular Properties

Compound Name2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine-6,8-diol
PubChem CID130152183
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine-6,8-diol
SMILESC=C1CC2C(O)CC(O)CN2C1
InChIInChI=1S/C9H15NO2/c1-6-2-8-9(12)3-7(11)5-10(8)4-6/h7-9,11-12H,1-5H2
InChIKeyHVPSWUMLRWLQOB-UHFFFAOYSA-N
XLogP-0.26
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 5-0.26
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

(1R,8aS)-2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizin-1-ol
CID 135036729
(5S,6S,8aR)-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-6-ol
CID 139195362
(8R,8aR)-6-methylidene-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol
CID 5323918
(8S,8aS)-6-methylidene-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol
CID 21674134
5-Prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-6-ol
CID 5231832
(5R,6R,8aS)-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-6-ol
CID 12087832
(6R,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,8-diol
CID 102129137

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine-6,8-diol?
The IUPAC name of 2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine-6,8-diol (CID 130152183) is 2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine-6,8-diol.
What is the SMILES notation for 2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine-6,8-diol?
The canonical SMILES for 2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine-6,8-diol is C=C1CC2C(O)CC(O)CN2C1.
What is the InChIKey of 2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine-6,8-diol?
The InChIKey is HVPSWUMLRWLQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6-2-8-9(12)3-7(11)5-10(8)4-6/h7-9,11-12H,1-5H2.
What are the key properties of 2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine-6,8-diol?
2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine-6,8-diol has a molecular weight of 169.22 g/mol, XLogP of -0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine-6,8-diol is sourced from PubChem (CID 130152183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).