1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carbaldehyde

C12H15NO — CID 3161866

IUPAC1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carbaldehyde
SMILESCC1CCc2cc(C=O)ccc2N1C
InChIInChI=1S/C12H15NO/c1-9-3-5-11-7-10(8-14)4-6-12(11)13(9)2/h4,6-9H,3,5H2,1-2H3
InChIKeyNKTNJOWUMHXQDA-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.27
Rot. Bonds1

About 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carbaldehyde

1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carbaldehyde (PubChem CID 3161866) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carbaldehyde.

Molecular Properties

Compound Name1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carbaldehyde
PubChem CID3161866
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carbaldehyde
SMILESCC1CCc2cc(C=O)ccc2N1C
InChIInChI=1S/C12H15NO/c1-9-3-5-11-7-10(8-14)4-6-12(11)13(9)2/h4,6-9H,3,5H2,1-2H3
InChIKeyNKTNJOWUMHXQDA-UHFFFAOYSA-N
XLogP2.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.27
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 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carbaldehyde?
The IUPAC name of 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carbaldehyde (CID 3161866) is 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carbaldehyde.
What is the SMILES notation for 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carbaldehyde?
The canonical SMILES for 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carbaldehyde is CC1CCc2cc(C=O)ccc2N1C.
What is the InChIKey of 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carbaldehyde?
The InChIKey is NKTNJOWUMHXQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-3-5-11-7-10(8-14)4-6-12(11)13(9)2/h4,6-9H,3,5H2,1-2H3.
What are the key properties of 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carbaldehyde?
1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carbaldehyde has a molecular weight of 189.26 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carbaldehyde is sourced from PubChem (CID 3161866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).