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

C9H15NO — CID 135036729

IUPAC(1R,8aS)-2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizin-1-ol
SMILESC=C1CN2CCCC[C@H]2[C@@H]1O
InChIInChI=1S/C9H15NO/c1-7-6-10-5-3-2-4-8(10)9(7)11/h8-9,11H,1-6H2/t8-,9+/m0/s1
InChIKeyYEDPJRMRVPCTPB-DTWKUNHWSA-N
MW153.22 g/mol
LogP0.77
Rot. Bonds

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

(1R,8aS)-2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizin-1-ol (PubChem CID 135036729) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (1R,8aS)-2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizin-1-ol.

Molecular Properties

Compound Name(1R,8aS)-2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizin-1-ol
PubChem CID135036729
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(1R,8aS)-2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizin-1-ol
SMILESC=C1CN2CCCC[C@H]2[C@@H]1O
InChIInChI=1S/C9H15NO/c1-7-6-10-5-3-2-4-8(10)9(7)11/h8-9,11H,1-6H2/t8-,9+/m0/s1
InChIKeyYEDPJRMRVPCTPB-DTWKUNHWSA-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'}

Analyze (1R,8aS)-2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizin-1-ol with MolForge

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Related Compounds

(2S,3S,8aR)-3-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-ol
CID 139195361
(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
3-Prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-ol
CID 5231831
(2R,3R,8aS)-3-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-ol
CID 10976110
(1R,3S,8aR)-3-[(Z)-2-iodoethenyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol
CID 102036322
2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine-6,8-diol
CID 130152183

Frequently Asked Questions

What is the IUPAC name of (1R,8aS)-2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizin-1-ol?
The IUPAC name of (1R,8aS)-2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizin-1-ol (CID 135036729) is (1R,8aS)-2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizin-1-ol.
What is the SMILES notation for (1R,8aS)-2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizin-1-ol?
The canonical SMILES for (1R,8aS)-2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizin-1-ol is C=C1CN2CCCC[C@H]2[C@@H]1O.
What is the InChIKey of (1R,8aS)-2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizin-1-ol?
The InChIKey is YEDPJRMRVPCTPB-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-6-10-5-3-2-4-8(10)9(7)11/h8-9,11H,1-6H2/t8-,9+/m0/s1.
What are the key properties of (1R,8aS)-2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizin-1-ol?
(1R,8aS)-2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizin-1-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 (1R,8aS)-2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizin-1-ol is sourced from PubChem (CID 135036729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).