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

C10H13NO — CID 163674685

IUPAC7-methyl-1,2,4a,8a-tetrahydroquinolin-8-ol
SMILESCC1=C(O)C2NCC=CC2C=C1
InChIInChI=1S/C10H13NO/c1-7-4-5-8-3-2-6-11-9(8)10(7)12/h2-5,8-9,11-12H,6H2,1H3
InChIKeyJFQHEYASPKVQRV-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.53
Rot. Bonds

About 7-methyl-1,2,4a,8a-tetrahydroquinolin-8-ol

7-methyl-1,2,4a,8a-tetrahydroquinolin-8-ol (PubChem CID 163674685) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 7-methyl-1,2,4a,8a-tetrahydroquinolin-8-ol.

Molecular Properties

Compound Name7-methyl-1,2,4a,8a-tetrahydroquinolin-8-ol
PubChem CID163674685
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name7-methyl-1,2,4a,8a-tetrahydroquinolin-8-ol
SMILESCC1=C(O)C2NCC=CC2C=C1
InChIInChI=1S/C10H13NO/c1-7-4-5-8-3-2-6-11-9(8)10(7)12/h2-5,8-9,11-12H,6H2,1H3
InChIKeyJFQHEYASPKVQRV-UHFFFAOYSA-N
XLogP1.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.53
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
5-ethyl-3a,7a-dihydro-1H-indol-7-ol
CID 68345622
6-(Ethylamino)-6-methylcyclohexa-1,3-dien-1-ol
CID 139892088
5-methyl-3a,7a-dihydro-1H-indol-7-ol
CID 143778533
5-methyl-3a,7a-dihydro-1H-indol-7-ol;propane
CID 143778580
6-(Methylamino)cyclohexa-1,3-dien-1-ol
CID 176155781
6-(Ethylamino)cyclohexa-1,3-dien-1-ol
CID 176155790
6-(Cyclopropylmethylamino)cyclohexa-1,3-dien-1-ol
CID 176155808
6-(Butylamino)cyclohexa-1,3-dien-1-ol
CID 176155810
3-[[[(E)-but-2-enyl]amino]methyl]cyclohexa-1,3-dien-1-ol
CID 141801497
1,2,4a,8a-Tetrahydroquinolin-8-ol
CID 160906058

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,2,4a,8a-tetrahydroquinolin-8-ol?
The IUPAC name of 7-methyl-1,2,4a,8a-tetrahydroquinolin-8-ol (CID 163674685) is 7-methyl-1,2,4a,8a-tetrahydroquinolin-8-ol.
What is the SMILES notation for 7-methyl-1,2,4a,8a-tetrahydroquinolin-8-ol?
The canonical SMILES for 7-methyl-1,2,4a,8a-tetrahydroquinolin-8-ol is CC1=C(O)C2NCC=CC2C=C1.
What is the InChIKey of 7-methyl-1,2,4a,8a-tetrahydroquinolin-8-ol?
The InChIKey is JFQHEYASPKVQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-7-4-5-8-3-2-6-11-9(8)10(7)12/h2-5,8-9,11-12H,6H2,1H3.
What are the key properties of 7-methyl-1,2,4a,8a-tetrahydroquinolin-8-ol?
7-methyl-1,2,4a,8a-tetrahydroquinolin-8-ol has a molecular weight of 163.22 g/mol, XLogP of 1.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,2,4a,8a-tetrahydroquinolin-8-ol is sourced from PubChem (CID 163674685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).