1,2,4a,8a-tetrahydroquinolin-8-ol

C9H11NO — CID 160906058

IUPAC1,2,4a,8a-tetrahydroquinolin-8-ol
SMILESOC1=CC=CC2C=CCNC12
InChIInChI=1S/C9H11NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-5,7,9-11H,6H2
InChIKeySBYKBOXWMDEHEN-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.14
Rot. Bonds

About 1,2,4a,8a-tetrahydroquinolin-8-ol

1,2,4a,8a-tetrahydroquinolin-8-ol (PubChem CID 160906058) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 1,2,4a,8a-tetrahydroquinolin-8-ol.

Molecular Properties

Compound Name1,2,4a,8a-tetrahydroquinolin-8-ol
PubChem CID160906058
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name1,2,4a,8a-tetrahydroquinolin-8-ol
SMILESOC1=CC=CC2C=CCNC12
InChIInChI=1S/C9H11NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-5,7,9-11H,6H2
InChIKeySBYKBOXWMDEHEN-UHFFFAOYSA-N
XLogP1.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(Ethylamino)-2-fluorocyclohexa-1,3-dien-1-ol
CID 176155774
1,8a-Dihydroquinolin-8-ol
CID 58161039
6-(Ethylamino)-6-methylcyclohexa-1,3-dien-1-ol
CID 139892088
7-Methyl-1,2,4a,8a-tetrahydroquinolin-8-ol
CID 163674685
6-(Methylamino)cyclohexa-1,3-dien-1-ol
CID 176155781
6-(Ethylamino)cyclohexa-1,3-dien-1-ol
CID 176155790
6-(2-Hydroxyethylamino)cyclohexa-1,3-dien-1-ol
CID 176155803
6-(Cyclopropylmethylamino)cyclohexa-1,3-dien-1-ol
CID 176155808
6-(Butylamino)cyclohexa-1,3-dien-1-ol
CID 176155810
8-hydroxy-4a,8a-dihydro-1H-quinolin-2-one
CID 10953852

Frequently Asked Questions

What is the IUPAC name of 1,2,4a,8a-tetrahydroquinolin-8-ol?
The IUPAC name of 1,2,4a,8a-tetrahydroquinolin-8-ol (CID 160906058) is 1,2,4a,8a-tetrahydroquinolin-8-ol.
What is the SMILES notation for 1,2,4a,8a-tetrahydroquinolin-8-ol?
The canonical SMILES for 1,2,4a,8a-tetrahydroquinolin-8-ol is OC1=CC=CC2C=CCNC12.
What is the InChIKey of 1,2,4a,8a-tetrahydroquinolin-8-ol?
The InChIKey is SBYKBOXWMDEHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-5,7,9-11H,6H2.
What are the key properties of 1,2,4a,8a-tetrahydroquinolin-8-ol?
1,2,4a,8a-tetrahydroquinolin-8-ol has a molecular weight of 149.19 g/mol, XLogP of 1.14, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4a,8a-tetrahydroquinolin-8-ol is sourced from PubChem (CID 160906058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).