2-methyl-5,6,7,8-tetrahydroquinoline-4-carbaldehyde

C11H13NO — CID 83854675

IUPAC2-methyl-5,6,7,8-tetrahydroquinoline-4-carbaldehyde
SMILESCc1cc(C=O)c2c(n1)CCCC2
InChIInChI=1S/C11H13NO/c1-8-6-9(7-13)10-4-2-3-5-11(10)12-8/h6-7H,2-5H2,1H3
InChIKeyOJCZPYXJCAQNJJ-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.08
Rot. Bonds1

About 2-methyl-5,6,7,8-tetrahydroquinoline-4-carbaldehyde

2-methyl-5,6,7,8-tetrahydroquinoline-4-carbaldehyde (PubChem CID 83854675) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-methyl-5,6,7,8-tetrahydroquinoline-4-carbaldehyde.

Molecular Properties

Compound Name2-methyl-5,6,7,8-tetrahydroquinoline-4-carbaldehyde
PubChem CID83854675
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-methyl-5,6,7,8-tetrahydroquinoline-4-carbaldehyde
SMILESCc1cc(C=O)c2c(n1)CCCC2
InChIInChI=1S/C11H13NO/c1-8-6-9(7-13)10-4-2-3-5-11(10)12-8/h6-7H,2-5H2,1H3
InChIKeyOJCZPYXJCAQNJJ-UHFFFAOYSA-N
XLogP2.08
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6,7,8-tetrahydroquinoline-4-carbaldehyde?
The IUPAC name of 2-methyl-5,6,7,8-tetrahydroquinoline-4-carbaldehyde (CID 83854675) is 2-methyl-5,6,7,8-tetrahydroquinoline-4-carbaldehyde.
What is the SMILES notation for 2-methyl-5,6,7,8-tetrahydroquinoline-4-carbaldehyde?
The canonical SMILES for 2-methyl-5,6,7,8-tetrahydroquinoline-4-carbaldehyde is Cc1cc(C=O)c2c(n1)CCCC2.
What is the InChIKey of 2-methyl-5,6,7,8-tetrahydroquinoline-4-carbaldehyde?
The InChIKey is OJCZPYXJCAQNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8-6-9(7-13)10-4-2-3-5-11(10)12-8/h6-7H,2-5H2,1H3.
What are the key properties of 2-methyl-5,6,7,8-tetrahydroquinoline-4-carbaldehyde?
2-methyl-5,6,7,8-tetrahydroquinoline-4-carbaldehyde has a molecular weight of 175.23 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6,7,8-tetrahydroquinoline-4-carbaldehyde is sourced from PubChem (CID 83854675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).