6-(2,5-dioxopyrrolidin-1-yl)-2,4-dimethylpyridine-3-carbonitrile

C12H11N3O2 — CID 154304998

IUPAC6-(2,5-dioxopyrrolidin-1-yl)-2,4-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N2C(=O)CCC2=O)nc(C)c1C#N
InChIInChI=1S/C12H11N3O2/c1-7-5-10(14-8(2)9(7)6-13)15-11(16)3-4-12(15)17/h5H,3-4H2,1-2H3
InChIKeyMVRLOPHONYRZKX-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.22
Rot. Bonds1

About 6-(2,5-dioxopyrrolidin-1-yl)-2,4-dimethylpyridine-3-carbonitrile

6-(2,5-dioxopyrrolidin-1-yl)-2,4-dimethylpyridine-3-carbonitrile (PubChem CID 154304998) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrolidin-1-yl)-2,4-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2,5-dioxopyrrolidin-1-yl)-2,4-dimethylpyridine-3-carbonitrile
PubChem CID154304998
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name6-(2,5-dioxopyrrolidin-1-yl)-2,4-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N2C(=O)CCC2=O)nc(C)c1C#N
InChIInChI=1S/C12H11N3O2/c1-7-5-10(14-8(2)9(7)6-13)15-11(16)3-4-12(15)17/h5H,3-4H2,1-2H3
InChIKeyMVRLOPHONYRZKX-UHFFFAOYSA-N
XLogP1.22
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dioxopyrrolidin-1-yl)-2,4-dimethylpyridine-3-carbonitrile?
The IUPAC name of 6-(2,5-dioxopyrrolidin-1-yl)-2,4-dimethylpyridine-3-carbonitrile (CID 154304998) is 6-(2,5-dioxopyrrolidin-1-yl)-2,4-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(2,5-dioxopyrrolidin-1-yl)-2,4-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 6-(2,5-dioxopyrrolidin-1-yl)-2,4-dimethylpyridine-3-carbonitrile is Cc1cc(N2C(=O)CCC2=O)nc(C)c1C#N.
What is the InChIKey of 6-(2,5-dioxopyrrolidin-1-yl)-2,4-dimethylpyridine-3-carbonitrile?
The InChIKey is MVRLOPHONYRZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-7-5-10(14-8(2)9(7)6-13)15-11(16)3-4-12(15)17/h5H,3-4H2,1-2H3.
What are the key properties of 6-(2,5-dioxopyrrolidin-1-yl)-2,4-dimethylpyridine-3-carbonitrile?
6-(2,5-dioxopyrrolidin-1-yl)-2,4-dimethylpyridine-3-carbonitrile has a molecular weight of 229.24 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxopyrrolidin-1-yl)-2,4-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 154304998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).