2,2,4-trimethyl-3,4-dihydroquinoline-1-carbaldehyde

C13H17NO — CID 2826981

IUPAC2,2,4-trimethyl-3,4-dihydroquinoline-1-carbaldehyde
SMILESCC1CC(C)(C)N(C=O)c2ccccc21
InChIInChI=1S/C13H17NO/c1-10-8-13(2,3)14(9-15)12-7-5-4-6-11(10)12/h4-7,9-10H,8H2,1-3H3
InChIKeyVYMRKPSUCXMRGB-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.94
Rot. Bonds1

About 2,2,4-trimethyl-3,4-dihydroquinoline-1-carbaldehyde

2,2,4-trimethyl-3,4-dihydroquinoline-1-carbaldehyde (PubChem CID 2826981) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2,2,4-trimethyl-3,4-dihydroquinoline-1-carbaldehyde.

Molecular Properties

Compound Name2,2,4-trimethyl-3,4-dihydroquinoline-1-carbaldehyde
PubChem CID2826981
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2,2,4-trimethyl-3,4-dihydroquinoline-1-carbaldehyde
SMILESCC1CC(C)(C)N(C=O)c2ccccc21
InChIInChI=1S/C13H17NO/c1-10-8-13(2,3)14(9-15)12-7-5-4-6-11(10)12/h4-7,9-10H,8H2,1-3H3
InChIKeyVYMRKPSUCXMRGB-UHFFFAOYSA-N
XLogP2.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.94
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 2,2,4-trimethyl-3,4-dihydroquinoline-1-carbaldehyde?
The IUPAC name of 2,2,4-trimethyl-3,4-dihydroquinoline-1-carbaldehyde (CID 2826981) is 2,2,4-trimethyl-3,4-dihydroquinoline-1-carbaldehyde.
What is the SMILES notation for 2,2,4-trimethyl-3,4-dihydroquinoline-1-carbaldehyde?
The canonical SMILES for 2,2,4-trimethyl-3,4-dihydroquinoline-1-carbaldehyde is CC1CC(C)(C)N(C=O)c2ccccc21.
What is the InChIKey of 2,2,4-trimethyl-3,4-dihydroquinoline-1-carbaldehyde?
The InChIKey is VYMRKPSUCXMRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10-8-13(2,3)14(9-15)12-7-5-4-6-11(10)12/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 2,2,4-trimethyl-3,4-dihydroquinoline-1-carbaldehyde?
2,2,4-trimethyl-3,4-dihydroquinoline-1-carbaldehyde has a molecular weight of 203.28 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-3,4-dihydroquinoline-1-carbaldehyde is sourced from PubChem (CID 2826981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).