(5Z)-5-(dimethylaminomethylidene)-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile

C11H13N3O2 — CID 67361083

IUPAC(5Z)-5-(dimethylaminomethylidene)-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile
SMILESCC1=C(C#N)C(=O)N(C)C(=O)/C1=C\N(C)C
InChIInChI=1S/C11H13N3O2/c1-7-8(5-12)10(15)14(4)11(16)9(7)6-13(2)3/h6H,1-4H3/b9-6-
InChIKeyYWWKOMKASQSIKP-TWGQIWQCSA-N
MW219.24 g/mol
LogP0.27
Rot. Bonds1

About (5Z)-5-(dimethylaminomethylidene)-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile

(5Z)-5-(dimethylaminomethylidene)-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile (PubChem CID 67361083) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is (5Z)-5-(dimethylaminomethylidene)-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile.

Molecular Properties

Compound Name(5Z)-5-(dimethylaminomethylidene)-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile
PubChem CID67361083
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name(5Z)-5-(dimethylaminomethylidene)-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile
SMILESCC1=C(C#N)C(=O)N(C)C(=O)/C1=C\N(C)C
InChIInChI=1S/C11H13N3O2/c1-7-8(5-12)10(15)14(4)11(16)9(7)6-13(2)3/h6H,1-4H3/b9-6-
InChIKeyYWWKOMKASQSIKP-TWGQIWQCSA-N
XLogP0.27
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5Z)-5-(dimethylaminomethylidene)-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(dimethylaminomethylidene)-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile?
The IUPAC name of (5Z)-5-(dimethylaminomethylidene)-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile (CID 67361083) is (5Z)-5-(dimethylaminomethylidene)-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile.
What is the SMILES notation for (5Z)-5-(dimethylaminomethylidene)-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile?
The canonical SMILES for (5Z)-5-(dimethylaminomethylidene)-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile is CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\N(C)C.
What is the InChIKey of (5Z)-5-(dimethylaminomethylidene)-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile?
The InChIKey is YWWKOMKASQSIKP-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7-8(5-12)10(15)14(4)11(16)9(7)6-13(2)3/h6H,1-4H3/b9-6-.
What are the key properties of (5Z)-5-(dimethylaminomethylidene)-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile?
(5Z)-5-(dimethylaminomethylidene)-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile has a molecular weight of 219.24 g/mol, XLogP of 0.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(dimethylaminomethylidene)-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile is sourced from PubChem (CID 67361083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).