3,7-dimethylidene-1,2,4,4a,5,6,8,8a-octahydroquinolin-6-ol

C11H17NO — CID 91161907

IUPAC3,7-dimethylidene-1,2,4,4a,5,6,8,8a-octahydroquinolin-6-ol
SMILESC=C1CNC2CC(=C)C(O)CC2C1
InChIInChI=1S/C11H17NO/c1-7-3-9-5-11(13)8(2)4-10(9)12-6-7/h9-13H,1-6H2
InChIKeyWCRRGCAKLYOERR-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.23
Rot. Bonds

About 3,7-dimethylidene-1,2,4,4a,5,6,8,8a-octahydroquinolin-6-ol

3,7-dimethylidene-1,2,4,4a,5,6,8,8a-octahydroquinolin-6-ol (PubChem CID 91161907) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3,7-dimethylidene-1,2,4,4a,5,6,8,8a-octahydroquinolin-6-ol.

Molecular Properties

Compound Name3,7-dimethylidene-1,2,4,4a,5,6,8,8a-octahydroquinolin-6-ol
PubChem CID91161907
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3,7-dimethylidene-1,2,4,4a,5,6,8,8a-octahydroquinolin-6-ol
SMILESC=C1CNC2CC(=C)C(O)CC2C1
InChIInChI=1S/C11H17NO/c1-7-3-9-5-11(13)8(2)4-10(9)12-6-7/h9-13H,1-6H2
InChIKeyWCRRGCAKLYOERR-UHFFFAOYSA-N
XLogP1.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethylidene-1,2,4,4a,5,6,8,8a-octahydroquinolin-6-ol?
The IUPAC name of 3,7-dimethylidene-1,2,4,4a,5,6,8,8a-octahydroquinolin-6-ol (CID 91161907) is 3,7-dimethylidene-1,2,4,4a,5,6,8,8a-octahydroquinolin-6-ol.
What is the SMILES notation for 3,7-dimethylidene-1,2,4,4a,5,6,8,8a-octahydroquinolin-6-ol?
The canonical SMILES for 3,7-dimethylidene-1,2,4,4a,5,6,8,8a-octahydroquinolin-6-ol is C=C1CNC2CC(=C)C(O)CC2C1.
What is the InChIKey of 3,7-dimethylidene-1,2,4,4a,5,6,8,8a-octahydroquinolin-6-ol?
The InChIKey is WCRRGCAKLYOERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-7-3-9-5-11(13)8(2)4-10(9)12-6-7/h9-13H,1-6H2.
What are the key properties of 3,7-dimethylidene-1,2,4,4a,5,6,8,8a-octahydroquinolin-6-ol?
3,7-dimethylidene-1,2,4,4a,5,6,8,8a-octahydroquinolin-6-ol has a molecular weight of 179.26 g/mol, XLogP of 1.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethylidene-1,2,4,4a,5,6,8,8a-octahydroquinolin-6-ol is sourced from PubChem (CID 91161907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).