1-[2-(C,N-dimethylcarbonimidoyl)-2-methyl-3H-pyridin-6-yl]ethanone

C11H16N2O — CID 89313162

IUPAC1-[2-(C,N-dimethylcarbonimidoyl)-2-methyl-3H-pyridin-6-yl]ethanone
SMILESC/N=C(\C)C1(C)CC=CC(C(C)=O)=N1
InChIInChI=1S/C11H16N2O/c1-8(14)10-6-5-7-11(3,13-10)9(2)12-4/h5-6H,7H2,1-4H3/b12-9+
InChIKeyJTPOYKIFQFVYCR-FMIVXFBMSA-N
MW192.26 g/mol
LogP1.83
Rot. Bonds2

About 1-[2-(C,N-dimethylcarbonimidoyl)-2-methyl-3H-pyridin-6-yl]ethanone

1-[2-(C,N-dimethylcarbonimidoyl)-2-methyl-3H-pyridin-6-yl]ethanone (PubChem CID 89313162) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[2-(C,N-dimethylcarbonimidoyl)-2-methyl-3H-pyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-(C,N-dimethylcarbonimidoyl)-2-methyl-3H-pyridin-6-yl]ethanone
PubChem CID89313162
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-[2-(C,N-dimethylcarbonimidoyl)-2-methyl-3H-pyridin-6-yl]ethanone
SMILESC/N=C(\C)C1(C)CC=CC(C(C)=O)=N1
InChIInChI=1S/C11H16N2O/c1-8(14)10-6-5-7-11(3,13-10)9(2)12-4/h5-6H,7H2,1-4H3/b12-9+
InChIKeyJTPOYKIFQFVYCR-FMIVXFBMSA-N
XLogP1.83
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(C,N-dimethylcarbonimidoyl)-2-methyl-3H-pyridin-6-yl]ethanone?
The IUPAC name of 1-[2-(C,N-dimethylcarbonimidoyl)-2-methyl-3H-pyridin-6-yl]ethanone (CID 89313162) is 1-[2-(C,N-dimethylcarbonimidoyl)-2-methyl-3H-pyridin-6-yl]ethanone.
What is the SMILES notation for 1-[2-(C,N-dimethylcarbonimidoyl)-2-methyl-3H-pyridin-6-yl]ethanone?
The canonical SMILES for 1-[2-(C,N-dimethylcarbonimidoyl)-2-methyl-3H-pyridin-6-yl]ethanone is C/N=C(\C)C1(C)CC=CC(C(C)=O)=N1.
What is the InChIKey of 1-[2-(C,N-dimethylcarbonimidoyl)-2-methyl-3H-pyridin-6-yl]ethanone?
The InChIKey is JTPOYKIFQFVYCR-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8(14)10-6-5-7-11(3,13-10)9(2)12-4/h5-6H,7H2,1-4H3/b12-9+.
What are the key properties of 1-[2-(C,N-dimethylcarbonimidoyl)-2-methyl-3H-pyridin-6-yl]ethanone?
1-[2-(C,N-dimethylcarbonimidoyl)-2-methyl-3H-pyridin-6-yl]ethanone has a molecular weight of 192.26 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(C,N-dimethylcarbonimidoyl)-2-methyl-3H-pyridin-6-yl]ethanone is sourced from PubChem (CID 89313162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).