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

C9H15NO — CID 5323918

IUPAC(8R,8aR)-6-methylidene-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol
SMILESC=C1C[C@@H](O)[C@H]2CCCN2C1
InChIInChI=1S/C9H15NO/c1-7-5-9(11)8-3-2-4-10(8)6-7/h8-9,11H,1-6H2/t8-,9-/m1/s1
InChIKeyYSMPNDAYCFICHG-RKDXNWHRSA-N
MW153.22 g/mol
LogP0.77
Rot. Bonds

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

(8R,8aR)-6-methylidene-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol (PubChem CID 5323918) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (8R,8aR)-6-methylidene-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol.

Molecular Properties

Compound Name(8R,8aR)-6-methylidene-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol
PubChem CID5323918
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(8R,8aR)-6-methylidene-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol
SMILESC=C1C[C@@H](O)[C@H]2CCCN2C1
InChIInChI=1S/C9H15NO/c1-7-5-9(11)8-3-2-4-10(8)6-7/h8-9,11H,1-6H2/t8-,9-/m1/s1
InChIKeyYSMPNDAYCFICHG-RKDXNWHRSA-N
XLogP0.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.77
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

(1R,8aS)-2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizin-1-ol
CID 135036729
(6Z,8R,8aS)-6-(2-methylpropylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol
CID 10976392
(7R,8S,8aS)-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
CID 21598230
(8S,8aS)-6-methylidene-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol
CID 21674134
(6Z,8R)-6-(2-methylpropylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol
CID 101210638
(7S,8R,8aR)-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
CID 102063175
(7R,8R,8aS)-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
CID 102063176
(7S,8S,8aR)-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
CID 102063177
2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine-6,8-diol
CID 130152183
(6Z)-6-(2-methylpropylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol
CID 133631999
(6E,8S)-6-(2-methylpropylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol
CID 177465291

Frequently Asked Questions

What is the IUPAC name of (8R,8aR)-6-methylidene-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol?
The IUPAC name of (8R,8aR)-6-methylidene-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol (CID 5323918) is (8R,8aR)-6-methylidene-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol.
What is the SMILES notation for (8R,8aR)-6-methylidene-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol?
The canonical SMILES for (8R,8aR)-6-methylidene-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol is C=C1C[C@@H](O)[C@H]2CCCN2C1.
What is the InChIKey of (8R,8aR)-6-methylidene-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol?
The InChIKey is YSMPNDAYCFICHG-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-5-9(11)8-3-2-4-10(8)6-7/h8-9,11H,1-6H2/t8-,9-/m1/s1.
What are the key properties of (8R,8aR)-6-methylidene-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol?
(8R,8aR)-6-methylidene-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol has a molecular weight of 153.22 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,8aR)-6-methylidene-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol is sourced from PubChem (CID 5323918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).