6-methyl-6,7-dihydroquinoline-2-carbaldehyde

C11H11NO — CID 143910932

IUPAC6-methyl-6,7-dihydroquinoline-2-carbaldehyde
SMILESCC1C=c2ccc(C=O)nc2=CC1
InChIInChI=1S/C11H11NO/c1-8-2-5-11-9(6-8)3-4-10(7-13)12-11/h3-8H,2H2,1H3
InChIKeyHQWOHTDPCMAVOY-UHFFFAOYSA-N
MW173.22 g/mol
LogP0.49
Rot. Bonds1

About 6-methyl-6,7-dihydroquinoline-2-carbaldehyde

6-methyl-6,7-dihydroquinoline-2-carbaldehyde (PubChem CID 143910932) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 6-methyl-6,7-dihydroquinoline-2-carbaldehyde.

Molecular Properties

Compound Name6-methyl-6,7-dihydroquinoline-2-carbaldehyde
PubChem CID143910932
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name6-methyl-6,7-dihydroquinoline-2-carbaldehyde
SMILESCC1C=c2ccc(C=O)nc2=CC1
InChIInChI=1S/C11H11NO/c1-8-2-5-11-9(6-8)3-4-10(7-13)12-11/h3-8H,2H2,1H3
InChIKeyHQWOHTDPCMAVOY-UHFFFAOYSA-N
XLogP0.49
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 50.49
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 6-methyl-6,7-dihydroquinoline-2-carbaldehyde?
The IUPAC name of 6-methyl-6,7-dihydroquinoline-2-carbaldehyde (CID 143910932) is 6-methyl-6,7-dihydroquinoline-2-carbaldehyde.
What is the SMILES notation for 6-methyl-6,7-dihydroquinoline-2-carbaldehyde?
The canonical SMILES for 6-methyl-6,7-dihydroquinoline-2-carbaldehyde is CC1C=c2ccc(C=O)nc2=CC1.
What is the InChIKey of 6-methyl-6,7-dihydroquinoline-2-carbaldehyde?
The InChIKey is HQWOHTDPCMAVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-8-2-5-11-9(6-8)3-4-10(7-13)12-11/h3-8H,2H2,1H3.
What are the key properties of 6-methyl-6,7-dihydroquinoline-2-carbaldehyde?
6-methyl-6,7-dihydroquinoline-2-carbaldehyde has a molecular weight of 173.22 g/mol, XLogP of 0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6,7-dihydroquinoline-2-carbaldehyde is sourced from PubChem (CID 143910932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).