1-(4-methyl-2-methylimino-1-pyridinyl)ethanone

C9H12N2O — CID 166886913

IUPAC1-(4-methyl-2-methylimino-1-pyridinyl)ethanone
SMILESC/N=c1\cc(C)ccn1C(C)=O
InChIInChI=1S/C9H12N2O/c1-7-4-5-11(8(2)12)9(6-7)10-3/h4-6H,1-3H3/b10-9+
InChIKeySKDHXQFOZHCEHU-MDZDMXLPSA-N
MW164.21 g/mol
LogP0.99
Rot. Bonds

About 1-(4-methyl-2-methylimino-1-pyridinyl)ethanone

1-(4-methyl-2-methylimino-1-pyridinyl)ethanone (PubChem CID 166886913) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-(4-methyl-2-methylimino-1-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(4-methyl-2-methylimino-1-pyridinyl)ethanone
PubChem CID166886913
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1-(4-methyl-2-methylimino-1-pyridinyl)ethanone
SMILESC/N=c1\cc(C)ccn1C(C)=O
InChIInChI=1S/C9H12N2O/c1-7-4-5-11(8(2)12)9(6-7)10-3/h4-6H,1-3H3/b10-9+
InChIKeySKDHXQFOZHCEHU-MDZDMXLPSA-N
XLogP0.99
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-methylimino-1-pyridinyl)ethanone?
The IUPAC name of 1-(4-methyl-2-methylimino-1-pyridinyl)ethanone (CID 166886913) is 1-(4-methyl-2-methylimino-1-pyridinyl)ethanone.
What is the SMILES notation for 1-(4-methyl-2-methylimino-1-pyridinyl)ethanone?
The canonical SMILES for 1-(4-methyl-2-methylimino-1-pyridinyl)ethanone is C/N=c1\cc(C)ccn1C(C)=O.
What is the InChIKey of 1-(4-methyl-2-methylimino-1-pyridinyl)ethanone?
The InChIKey is SKDHXQFOZHCEHU-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7-4-5-11(8(2)12)9(6-7)10-3/h4-6H,1-3H3/b10-9+.
What are the key properties of 1-(4-methyl-2-methylimino-1-pyridinyl)ethanone?
1-(4-methyl-2-methylimino-1-pyridinyl)ethanone has a molecular weight of 164.21 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-methylimino-1-pyridinyl)ethanone is sourced from PubChem (CID 166886913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).