4a-methyl-6,8a-dihydro-5H-quinoline

C10H13N — CID 89241057

IUPAC4a-methyl-6,8a-dihydro-5H-quinoline
SMILESCC12C=CC=NC1C=CCC2
InChIInChI=1S/C10H13N/c1-10-6-3-2-5-9(10)11-8-4-7-10/h2,4-5,7-9H,3,6H2,1H3
InChIKeyDDTPISVLBYLYNQ-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.35
Rot. Bonds

About 4a-methyl-6,8a-dihydro-5H-quinoline

4a-methyl-6,8a-dihydro-5H-quinoline (PubChem CID 89241057) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 4a-methyl-6,8a-dihydro-5H-quinoline.

Molecular Properties

Compound Name4a-methyl-6,8a-dihydro-5H-quinoline
PubChem CID89241057
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name4a-methyl-6,8a-dihydro-5H-quinoline
SMILESCC12C=CC=NC1C=CCC2
InChIInChI=1S/C10H13N/c1-10-6-3-2-5-9(10)11-8-4-7-10/h2,4-5,7-9H,3,6H2,1H3
InChIKeyDDTPISVLBYLYNQ-UHFFFAOYSA-N
XLogP2.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4a-methyl-6,8a-dihydro-5H-quinoline?
The IUPAC name of 4a-methyl-6,8a-dihydro-5H-quinoline (CID 89241057) is 4a-methyl-6,8a-dihydro-5H-quinoline.
What is the SMILES notation for 4a-methyl-6,8a-dihydro-5H-quinoline?
The canonical SMILES for 4a-methyl-6,8a-dihydro-5H-quinoline is CC12C=CC=NC1C=CCC2.
What is the InChIKey of 4a-methyl-6,8a-dihydro-5H-quinoline?
The InChIKey is DDTPISVLBYLYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-10-6-3-2-5-9(10)11-8-4-7-10/h2,4-5,7-9H,3,6H2,1H3.
What are the key properties of 4a-methyl-6,8a-dihydro-5H-quinoline?
4a-methyl-6,8a-dihydro-5H-quinoline has a molecular weight of 147.22 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-methyl-6,8a-dihydro-5H-quinoline is sourced from PubChem (CID 89241057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).