1-[1-(C,N-dimethylcarbonimidoyl)-6-methylidene-3-pyridinyl]ethanone

C11H14N2O — CID 144718935

IUPAC1-[1-(C,N-dimethylcarbonimidoyl)-6-methylidene-3-pyridinyl]ethanone
SMILESC=C1C=CC(C(C)=O)=CN1/C(C)=N/C
InChIInChI=1S/C11H14N2O/c1-8-5-6-11(9(2)14)7-13(8)10(3)12-4/h5-7H,1H2,2-4H3/b12-10+
InChIKeyGVJLZDLLZZKSNF-ZRDIBKRKSA-N
MW190.25 g/mol
LogP1.89
Rot. Bonds1

About 1-[1-(C,N-dimethylcarbonimidoyl)-6-methylidene-3-pyridinyl]ethanone

1-[1-(C,N-dimethylcarbonimidoyl)-6-methylidene-3-pyridinyl]ethanone (PubChem CID 144718935) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-[1-(C,N-dimethylcarbonimidoyl)-6-methylidene-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[1-(C,N-dimethylcarbonimidoyl)-6-methylidene-3-pyridinyl]ethanone
PubChem CID144718935
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-[1-(C,N-dimethylcarbonimidoyl)-6-methylidene-3-pyridinyl]ethanone
SMILESC=C1C=CC(C(C)=O)=CN1/C(C)=N/C
InChIInChI=1S/C11H14N2O/c1-8-5-6-11(9(2)14)7-13(8)10(3)12-4/h5-7H,1H2,2-4H3/b12-10+
InChIKeyGVJLZDLLZZKSNF-ZRDIBKRKSA-N
XLogP1.89
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(C,N-dimethylcarbonimidoyl)-6-methylidene-3-pyridinyl]ethanone?
The IUPAC name of 1-[1-(C,N-dimethylcarbonimidoyl)-6-methylidene-3-pyridinyl]ethanone (CID 144718935) is 1-[1-(C,N-dimethylcarbonimidoyl)-6-methylidene-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[1-(C,N-dimethylcarbonimidoyl)-6-methylidene-3-pyridinyl]ethanone?
The canonical SMILES for 1-[1-(C,N-dimethylcarbonimidoyl)-6-methylidene-3-pyridinyl]ethanone is C=C1C=CC(C(C)=O)=CN1/C(C)=N/C.
What is the InChIKey of 1-[1-(C,N-dimethylcarbonimidoyl)-6-methylidene-3-pyridinyl]ethanone?
The InChIKey is GVJLZDLLZZKSNF-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8-5-6-11(9(2)14)7-13(8)10(3)12-4/h5-7H,1H2,2-4H3/b12-10+.
What are the key properties of 1-[1-(C,N-dimethylcarbonimidoyl)-6-methylidene-3-pyridinyl]ethanone?
1-[1-(C,N-dimethylcarbonimidoyl)-6-methylidene-3-pyridinyl]ethanone has a molecular weight of 190.25 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(C,N-dimethylcarbonimidoyl)-6-methylidene-3-pyridinyl]ethanone is sourced from PubChem (CID 144718935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).