1,2,5,6,7,8-hexahydroquinolin-3-ol

C9H13NO — CID 123491822

IUPAC1,2,5,6,7,8-hexahydroquinolin-3-ol
SMILESOC1=CC2=C(CCCC2)NC1
InChIInChI=1S/C9H13NO/c11-8-5-7-3-1-2-4-9(7)10-6-8/h5,10-11H,1-4,6H2
InChIKeyRMWOWHBJDGQAGK-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.86
Rot. Bonds

About 1,2,5,6,7,8-hexahydroquinolin-3-ol

1,2,5,6,7,8-hexahydroquinolin-3-ol (PubChem CID 123491822) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1,2,5,6,7,8-hexahydroquinolin-3-ol.

Molecular Properties

Compound Name1,2,5,6,7,8-hexahydroquinolin-3-ol
PubChem CID123491822
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1,2,5,6,7,8-hexahydroquinolin-3-ol
SMILESOC1=CC2=C(CCCC2)NC1
InChIInChI=1S/C9H13NO/c11-8-5-7-3-1-2-4-9(7)10-6-8/h5,10-11H,1-4,6H2
InChIKeyRMWOWHBJDGQAGK-UHFFFAOYSA-N
XLogP1.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-5,6,7,8-tetrahydro-2H-quinolin-3-ol
CID 141055295
2,3,4,5-tetrahydro-1H-cyclohepta[b]pyridin-9-ol
CID 141122290
1,2,5,6-Tetrahydroquinolin-8-ol
CID 170048801
4-[(5Z,7Z)-deca-5,7,9-trienyl]-1,2,3,6-tetrahydropyridin-5-ol
CID 177970947

Frequently Asked Questions

What is the IUPAC name of 1,2,5,6,7,8-hexahydroquinolin-3-ol?
The IUPAC name of 1,2,5,6,7,8-hexahydroquinolin-3-ol (CID 123491822) is 1,2,5,6,7,8-hexahydroquinolin-3-ol.
What is the SMILES notation for 1,2,5,6,7,8-hexahydroquinolin-3-ol?
The canonical SMILES for 1,2,5,6,7,8-hexahydroquinolin-3-ol is OC1=CC2=C(CCCC2)NC1.
What is the InChIKey of 1,2,5,6,7,8-hexahydroquinolin-3-ol?
The InChIKey is RMWOWHBJDGQAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c11-8-5-7-3-1-2-4-9(7)10-6-8/h5,10-11H,1-4,6H2.
What are the key properties of 1,2,5,6,7,8-hexahydroquinolin-3-ol?
1,2,5,6,7,8-hexahydroquinolin-3-ol has a molecular weight of 151.21 g/mol, XLogP of 1.86, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,6,7,8-hexahydroquinolin-3-ol is sourced from PubChem (CID 123491822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).