8-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbaldehyde

C11H13NO2 — CID 82111865

IUPAC8-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbaldehyde
SMILESCC1CCCc2cc(C=O)c(=O)[nH]c21
InChIInChI=1S/C11H13NO2/c1-7-3-2-4-8-5-9(6-13)11(14)12-10(7)8/h5-7H,2-4H2,1H3,(H,12,14)
InChIKeyKMSWBHYNXJIGRS-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.63
Rot. Bonds1

About 8-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbaldehyde

8-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbaldehyde (PubChem CID 82111865) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 8-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbaldehyde.

Molecular Properties

Compound Name8-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbaldehyde
PubChem CID82111865
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name8-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbaldehyde
SMILESCC1CCCc2cc(C=O)c(=O)[nH]c21
InChIInChI=1S/C11H13NO2/c1-7-3-2-4-8-5-9(6-13)11(14)12-10(7)8/h5-7H,2-4H2,1H3,(H,12,14)
InChIKeyKMSWBHYNXJIGRS-UHFFFAOYSA-N
XLogP1.63
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
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 8-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbaldehyde?
The IUPAC name of 8-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbaldehyde (CID 82111865) is 8-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbaldehyde.
What is the SMILES notation for 8-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbaldehyde?
The canonical SMILES for 8-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbaldehyde is CC1CCCc2cc(C=O)c(=O)[nH]c21.
What is the InChIKey of 8-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbaldehyde?
The InChIKey is KMSWBHYNXJIGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7-3-2-4-8-5-9(6-13)11(14)12-10(7)8/h5-7H,2-4H2,1H3,(H,12,14).
What are the key properties of 8-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbaldehyde?
8-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbaldehyde has a molecular weight of 191.23 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbaldehyde is sourced from PubChem (CID 82111865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).