3-(C,N-dimethylcarbonimidoyl)-1H-pyridin-2-one;ethane

C12H22N2O — CID 142498981

IUPAC3-(C,N-dimethylcarbonimidoyl)-1H-pyridin-2-one;ethane
SMILESC/N=C(\C)c1ccc[nH]c1=O.CC.CC
InChIInChI=1S/C8H10N2O.2C2H6/c1-6(9-2)7-4-3-5-10-8(7)11;2*1-2/h3-5H,1-2H3,(H,10,11);2*1-2H3/b9-6+;;
InChIKeyGGXICFJRBXFVMO-SWSRPJROSA-N
MW210.32 g/mol
LogP2.87
Rot. Bonds1

About 3-(C,N-dimethylcarbonimidoyl)-1H-pyridin-2-one;ethane

3-(C,N-dimethylcarbonimidoyl)-1H-pyridin-2-one;ethane (PubChem CID 142498981) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-(C,N-dimethylcarbonimidoyl)-1H-pyridin-2-one;ethane.

Molecular Properties

Compound Name3-(C,N-dimethylcarbonimidoyl)-1H-pyridin-2-one;ethane
PubChem CID142498981
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-(C,N-dimethylcarbonimidoyl)-1H-pyridin-2-one;ethane
SMILESC/N=C(\C)c1ccc[nH]c1=O.CC.CC
InChIInChI=1S/C8H10N2O.2C2H6/c1-6(9-2)7-4-3-5-10-8(7)11;2*1-2/h3-5H,1-2H3,(H,10,11);2*1-2H3/b9-6+;;
InChIKeyGGXICFJRBXFVMO-SWSRPJROSA-N
XLogP2.87
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-(C,N-dimethylcarbonimidoyl)-1H-pyridin-2-one;ethane?
The IUPAC name of 3-(C,N-dimethylcarbonimidoyl)-1H-pyridin-2-one;ethane (CID 142498981) is 3-(C,N-dimethylcarbonimidoyl)-1H-pyridin-2-one;ethane.
What is the SMILES notation for 3-(C,N-dimethylcarbonimidoyl)-1H-pyridin-2-one;ethane?
The canonical SMILES for 3-(C,N-dimethylcarbonimidoyl)-1H-pyridin-2-one;ethane is C/N=C(\C)c1ccc[nH]c1=O.CC.CC.
What is the InChIKey of 3-(C,N-dimethylcarbonimidoyl)-1H-pyridin-2-one;ethane?
The InChIKey is GGXICFJRBXFVMO-SWSRPJROSA-N. The full InChI is InChI=1S/C8H10N2O.2C2H6/c1-6(9-2)7-4-3-5-10-8(7)11;2*1-2/h3-5H,1-2H3,(H,10,11);2*1-2H3/b9-6+;;.
What are the key properties of 3-(C,N-dimethylcarbonimidoyl)-1H-pyridin-2-one;ethane?
3-(C,N-dimethylcarbonimidoyl)-1H-pyridin-2-one;ethane has a molecular weight of 210.32 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(C,N-dimethylcarbonimidoyl)-1H-pyridin-2-one;ethane is sourced from PubChem (CID 142498981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).