1-methyl-5-methylidene-2,6-dioxopyridine-3-carbonitrile

C8H6N2O2 — CID 172676178

IUPAC1-methyl-5-methylidene-2,6-dioxopyridine-3-carbonitrile
SMILESC=C1C=C(C#N)C(=O)N(C)C1=O
InChIInChI=1S/C8H6N2O2/c1-5-3-6(4-9)8(12)10(2)7(5)11/h3H,1H2,2H3
InChIKeySVRHHOCTTCDKJP-UHFFFAOYSA-N
MW162.15 g/mol
LogP-0.01
Rot. Bonds

About 1-methyl-5-methylidene-2,6-dioxopyridine-3-carbonitrile

1-methyl-5-methylidene-2,6-dioxopyridine-3-carbonitrile (PubChem CID 172676178) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 1-methyl-5-methylidene-2,6-dioxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-methyl-5-methylidene-2,6-dioxopyridine-3-carbonitrile
PubChem CID172676178
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name1-methyl-5-methylidene-2,6-dioxopyridine-3-carbonitrile
SMILESC=C1C=C(C#N)C(=O)N(C)C1=O
InChIInChI=1S/C8H6N2O2/c1-5-3-6(4-9)8(12)10(2)7(5)11/h3H,1H2,2H3
InChIKeySVRHHOCTTCDKJP-UHFFFAOYSA-N
XLogP-0.01
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 5-0.01
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

Nicotinonitrile, 1,2-dihydro-2-oxo-1,4,6-trimethyl-
CID 46479
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4,6-Dimethyl-2-oxo-1-propyl-1,2-dihydropyridine-3-carbonitrile
CID 4380373
(Z)-3-(3,5-dimethyl-2-oxo-1-pyridinyl)-2-methylprop-2-enenitrile
CID 155541424
1-(Cyanomethyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 53243166
3-Cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinepropanenitrile
CID 57364615
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
1,5,6-Trimethyl-2-oxopyridine-3-carbonitrile
CID 13433094
1-Ethyl-3-cyano-5,6-dimethyl-2-pyridone
CID 22266483
1,3,6-Trimethyl-2-oxopyridine-4-carbonitrile
CID 22890209
1-(cyanomethyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide
CID 23048997

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-methylidene-2,6-dioxopyridine-3-carbonitrile?
The IUPAC name of 1-methyl-5-methylidene-2,6-dioxopyridine-3-carbonitrile (CID 172676178) is 1-methyl-5-methylidene-2,6-dioxopyridine-3-carbonitrile.
What is the SMILES notation for 1-methyl-5-methylidene-2,6-dioxopyridine-3-carbonitrile?
The canonical SMILES for 1-methyl-5-methylidene-2,6-dioxopyridine-3-carbonitrile is C=C1C=C(C#N)C(=O)N(C)C1=O.
What is the InChIKey of 1-methyl-5-methylidene-2,6-dioxopyridine-3-carbonitrile?
The InChIKey is SVRHHOCTTCDKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c1-5-3-6(4-9)8(12)10(2)7(5)11/h3H,1H2,2H3.
What are the key properties of 1-methyl-5-methylidene-2,6-dioxopyridine-3-carbonitrile?
1-methyl-5-methylidene-2,6-dioxopyridine-3-carbonitrile has a molecular weight of 162.15 g/mol, XLogP of -0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-methylidene-2,6-dioxopyridine-3-carbonitrile is sourced from PubChem (CID 172676178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).