2-methyl-2-quinolin-2-ylpropanal

C13H13NO — CID 130025083

IUPAC2-methyl-2-quinolin-2-ylpropanal
SMILESCC(C)(C=O)c1ccc2ccccc2n1
InChIInChI=1S/C13H13NO/c1-13(2,9-15)12-8-7-10-5-3-4-6-11(10)14-12/h3-9H,1-2H3
InChIKeyYMOAFJPNTLDKES-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.71
Rot. Bonds2

About 2-methyl-2-quinolin-2-ylpropanal

2-methyl-2-quinolin-2-ylpropanal (PubChem CID 130025083) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-methyl-2-quinolin-2-ylpropanal.

Molecular Properties

Compound Name2-methyl-2-quinolin-2-ylpropanal
PubChem CID130025083
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name2-methyl-2-quinolin-2-ylpropanal
SMILESCC(C)(C=O)c1ccc2ccccc2n1
InChIInChI=1S/C13H13NO/c1-13(2,9-15)12-8-7-10-5-3-4-6-11(10)14-12/h3-9H,1-2H3
InChIKeyYMOAFJPNTLDKES-UHFFFAOYSA-N
XLogP2.71
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.71
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-2-quinolin-2-ylpropanal?
The IUPAC name of 2-methyl-2-quinolin-2-ylpropanal (CID 130025083) is 2-methyl-2-quinolin-2-ylpropanal.
What is the SMILES notation for 2-methyl-2-quinolin-2-ylpropanal?
The canonical SMILES for 2-methyl-2-quinolin-2-ylpropanal is CC(C)(C=O)c1ccc2ccccc2n1.
What is the InChIKey of 2-methyl-2-quinolin-2-ylpropanal?
The InChIKey is YMOAFJPNTLDKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-13(2,9-15)12-8-7-10-5-3-4-6-11(10)14-12/h3-9H,1-2H3.
What are the key properties of 2-methyl-2-quinolin-2-ylpropanal?
2-methyl-2-quinolin-2-ylpropanal has a molecular weight of 199.25 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-quinolin-2-ylpropanal is sourced from PubChem (CID 130025083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).