5-ethylidene-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile

C10H10N2O2 — CID 171037472

IUPAC5-ethylidene-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile
SMILESCC=C1C(=O)N(C)C(=O)C(C#N)=C1C
InChIInChI=1S/C10H10N2O2/c1-4-7-6(2)8(5-11)10(14)12(3)9(7)13/h4H,1-3H3
InChIKeyQUTJABOKCJRWLX-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.77
Rot. Bonds

About 5-ethylidene-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile

5-ethylidene-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile (PubChem CID 171037472) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 5-ethylidene-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-ethylidene-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile
PubChem CID171037472
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name5-ethylidene-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile
SMILESCC=C1C(=O)N(C)C(=O)C(C#N)=C1C
InChIInChI=1S/C10H10N2O2/c1-4-7-6(2)8(5-11)10(14)12(3)9(7)13/h4H,1-3H3
InChIKeyQUTJABOKCJRWLX-UHFFFAOYSA-N
XLogP0.77
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1,2-Dihydro-6-hydroxy-1,4-dimethyl-2-oxonicotinonitrile
CID 15332744
6-Hydroxy-1,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 117918
1-Butyl-5-methylidene-2,6-dioxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 59034213
1-Hexyl-5-methylidene-2,6-dioxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 59034242
5-Methylidene-2,6-dioxo-1-propyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 59034244
1-Methyl-5-methylidene-2,6-dioxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 142172938
1-Methyl-5-methylene-2,6-dioxo-1,2,5,6-tetrahydro-pyridine-3-carbonitrile
CID 172676178
sodium 1,4-dimethyl-2,6-dioxo-3H-pyridin-3-ide-5-carbonitrile
CID 91980030
InChI=1/C9H10N2O/c1-3-8-4-7(5-10)6-11(2)9(8)12/h4,6H,3H2,1-2H
CID 5325283
1,5,6-Trimethyl-2-oxopyridine-3-carbonitrile
CID 13433094
1,3,4-Trimethyl-5-methylidenepyridine-2,6-dione
CID 20614767
1-Ethyl-3-cyano-5,6-dimethyl-2-pyridone
CID 22266483

Frequently Asked Questions

What is the IUPAC name of 5-ethylidene-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile?
The IUPAC name of 5-ethylidene-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile (CID 171037472) is 5-ethylidene-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile.
What is the SMILES notation for 5-ethylidene-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile?
The canonical SMILES for 5-ethylidene-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile is CC=C1C(=O)N(C)C(=O)C(C#N)=C1C.
What is the InChIKey of 5-ethylidene-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile?
The InChIKey is QUTJABOKCJRWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-4-7-6(2)8(5-11)10(14)12(3)9(7)13/h4H,1-3H3.
What are the key properties of 5-ethylidene-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile?
5-ethylidene-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile has a molecular weight of 190.20 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylidene-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile is sourced from PubChem (CID 171037472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).