2-methyl-2-pyridin-2-ylpropanal

C9H11NO — CID 10986405

IUPAC2-methyl-2-pyridin-2-ylpropanal
SMILESCC(C)(C=O)c1ccccn1
InChIInChI=1S/C9H11NO/c1-9(2,7-11)8-5-3-4-6-10-8/h3-7H,1-2H3
InChIKeyWWQGSIYNKDYZKM-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.56
Rot. Bonds2

About 2-methyl-2-pyridin-2-ylpropanal

2-methyl-2-pyridin-2-ylpropanal (PubChem CID 10986405) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-methyl-2-pyridin-2-ylpropanal.

Molecular Properties

Compound Name2-methyl-2-pyridin-2-ylpropanal
PubChem CID10986405
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2-methyl-2-pyridin-2-ylpropanal
SMILESCC(C)(C=O)c1ccccn1
InChIInChI=1S/C9H11NO/c1-9(2,7-11)8-5-3-4-6-10-8/h3-7H,1-2H3
InChIKeyWWQGSIYNKDYZKM-UHFFFAOYSA-N
XLogP1.56
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.56
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-pyridin-2-ylpropanal?
The IUPAC name of 2-methyl-2-pyridin-2-ylpropanal (CID 10986405) is 2-methyl-2-pyridin-2-ylpropanal.
What is the SMILES notation for 2-methyl-2-pyridin-2-ylpropanal?
The canonical SMILES for 2-methyl-2-pyridin-2-ylpropanal is CC(C)(C=O)c1ccccn1.
What is the InChIKey of 2-methyl-2-pyridin-2-ylpropanal?
The InChIKey is WWQGSIYNKDYZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-9(2,7-11)8-5-3-4-6-10-8/h3-7H,1-2H3.
What are the key properties of 2-methyl-2-pyridin-2-ylpropanal?
2-methyl-2-pyridin-2-ylpropanal has a molecular weight of 149.19 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-pyridin-2-ylpropanal is sourced from PubChem (CID 10986405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).