4-methyl-5-methylidene-2,6-dioxo-1-propylpyridine-3-carbonitrile

C11H12N2O2 — CID 59034217

IUPAC4-methyl-5-methylidene-2,6-dioxo-1-propylpyridine-3-carbonitrile
SMILESC=C1C(=O)N(CCC)C(=O)C(C#N)=C1C
InChIInChI=1S/C11H12N2O2/c1-4-5-13-10(14)8(3)7(2)9(6-12)11(13)15/h3-5H2,1-2H3
InChIKeyCDJZFXFHFDWHNO-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.16
Rot. Bonds2

About 4-methyl-5-methylidene-2,6-dioxo-1-propylpyridine-3-carbonitrile

4-methyl-5-methylidene-2,6-dioxo-1-propylpyridine-3-carbonitrile (PubChem CID 59034217) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-methyl-5-methylidene-2,6-dioxo-1-propylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-5-methylidene-2,6-dioxo-1-propylpyridine-3-carbonitrile
PubChem CID59034217
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-methyl-5-methylidene-2,6-dioxo-1-propylpyridine-3-carbonitrile
SMILESC=C1C(=O)N(CCC)C(=O)C(C#N)=C1C
InChIInChI=1S/C11H12N2O2/c1-4-5-13-10(14)8(3)7(2)9(6-12)11(13)15/h3-5H2,1-2H3
InChIKeyCDJZFXFHFDWHNO-UHFFFAOYSA-N
XLogP1.16
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.16
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
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
5-Ethylidene-1,4-dimethyl-2,6-dioxo-1,2,5,6-tetrahydro-pyridine-3-carbonitrile
CID 171037472
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-Butyl-5-cyano-4-methylpyridine-2,3,6-trione
CID 20536090
5-Cyano-1-ethyl-4-methylpyridine-2,3,6-trione
CID 20536091

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-methylidene-2,6-dioxo-1-propylpyridine-3-carbonitrile?
The IUPAC name of 4-methyl-5-methylidene-2,6-dioxo-1-propylpyridine-3-carbonitrile (CID 59034217) is 4-methyl-5-methylidene-2,6-dioxo-1-propylpyridine-3-carbonitrile.
What is the SMILES notation for 4-methyl-5-methylidene-2,6-dioxo-1-propylpyridine-3-carbonitrile?
The canonical SMILES for 4-methyl-5-methylidene-2,6-dioxo-1-propylpyridine-3-carbonitrile is C=C1C(=O)N(CCC)C(=O)C(C#N)=C1C.
What is the InChIKey of 4-methyl-5-methylidene-2,6-dioxo-1-propylpyridine-3-carbonitrile?
The InChIKey is CDJZFXFHFDWHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-4-5-13-10(14)8(3)7(2)9(6-12)11(13)15/h3-5H2,1-2H3.
What are the key properties of 4-methyl-5-methylidene-2,6-dioxo-1-propylpyridine-3-carbonitrile?
4-methyl-5-methylidene-2,6-dioxo-1-propylpyridine-3-carbonitrile has a molecular weight of 204.23 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-methylidene-2,6-dioxo-1-propylpyridine-3-carbonitrile is sourced from PubChem (CID 59034217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).