6-methyl-3,4,7,8-tetrahydro-2H-quinoline-1-carbaldehyde

C11H15NO — CID 123239567

IUPAC6-methyl-3,4,7,8-tetrahydro-2H-quinoline-1-carbaldehyde
SMILESCC1=CC2=C(CC1)N(C=O)CCC2
InChIInChI=1S/C11H15NO/c1-9-4-5-11-10(7-9)3-2-6-12(11)8-13/h7-8H,2-6H2,1H3
InChIKeyRZEDDXTYIXIJTI-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.23
Rot. Bonds1

About 6-methyl-3,4,7,8-tetrahydro-2H-quinoline-1-carbaldehyde

6-methyl-3,4,7,8-tetrahydro-2H-quinoline-1-carbaldehyde (PubChem CID 123239567) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 6-methyl-3,4,7,8-tetrahydro-2H-quinoline-1-carbaldehyde.

Molecular Properties

Compound Name6-methyl-3,4,7,8-tetrahydro-2H-quinoline-1-carbaldehyde
PubChem CID123239567
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name6-methyl-3,4,7,8-tetrahydro-2H-quinoline-1-carbaldehyde
SMILESCC1=CC2=C(CC1)N(C=O)CCC2
InChIInChI=1S/C11H15NO/c1-9-4-5-11-10(7-9)3-2-6-12(11)8-13/h7-8H,2-6H2,1H3
InChIKeyRZEDDXTYIXIJTI-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,4,7,8-tetrahydro-2H-quinoline-1-carbaldehyde?
The IUPAC name of 6-methyl-3,4,7,8-tetrahydro-2H-quinoline-1-carbaldehyde (CID 123239567) is 6-methyl-3,4,7,8-tetrahydro-2H-quinoline-1-carbaldehyde.
What is the SMILES notation for 6-methyl-3,4,7,8-tetrahydro-2H-quinoline-1-carbaldehyde?
The canonical SMILES for 6-methyl-3,4,7,8-tetrahydro-2H-quinoline-1-carbaldehyde is CC1=CC2=C(CC1)N(C=O)CCC2.
What is the InChIKey of 6-methyl-3,4,7,8-tetrahydro-2H-quinoline-1-carbaldehyde?
The InChIKey is RZEDDXTYIXIJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-9-4-5-11-10(7-9)3-2-6-12(11)8-13/h7-8H,2-6H2,1H3.
What are the key properties of 6-methyl-3,4,7,8-tetrahydro-2H-quinoline-1-carbaldehyde?
6-methyl-3,4,7,8-tetrahydro-2H-quinoline-1-carbaldehyde has a molecular weight of 177.25 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,4,7,8-tetrahydro-2H-quinoline-1-carbaldehyde is sourced from PubChem (CID 123239567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).