4-methyl-1-(2-methylpropyl)-2,6-dioxo-3H-pyridine-5-carbonitrile

C11H14N2O2 — CID 50885397

IUPAC4-methyl-1-(2-methylpropyl)-2,6-dioxo-3H-pyridine-5-carbonitrile
SMILESCC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1
InChIInChI=1S/C11H14N2O2/c1-7(2)6-13-10(14)4-8(3)9(5-12)11(13)15/h7H,4,6H2,1-3H3
InChIKeyVXBMXFRJWLNXFV-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.24
Rot. Bonds2

About 4-methyl-1-(2-methylpropyl)-2,6-dioxo-3H-pyridine-5-carbonitrile

4-methyl-1-(2-methylpropyl)-2,6-dioxo-3H-pyridine-5-carbonitrile (PubChem CID 50885397) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 4-methyl-1-(2-methylpropyl)-2,6-dioxo-3H-pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-methyl-1-(2-methylpropyl)-2,6-dioxo-3H-pyridine-5-carbonitrile
PubChem CID50885397
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name4-methyl-1-(2-methylpropyl)-2,6-dioxo-3H-pyridine-5-carbonitrile
SMILESCC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1
InChIInChI=1S/C11H14N2O2/c1-7(2)6-13-10(14)4-8(3)9(5-12)11(13)15/h7H,4,6H2,1-3H3
InChIKeyVXBMXFRJWLNXFV-UHFFFAOYSA-N
XLogP1.24
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylpropyl)-2,6-dioxo-3H-pyridine-5-carbonitrile?
The IUPAC name of 4-methyl-1-(2-methylpropyl)-2,6-dioxo-3H-pyridine-5-carbonitrile (CID 50885397) is 4-methyl-1-(2-methylpropyl)-2,6-dioxo-3H-pyridine-5-carbonitrile.
What is the SMILES notation for 4-methyl-1-(2-methylpropyl)-2,6-dioxo-3H-pyridine-5-carbonitrile?
The canonical SMILES for 4-methyl-1-(2-methylpropyl)-2,6-dioxo-3H-pyridine-5-carbonitrile is CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1.
What is the InChIKey of 4-methyl-1-(2-methylpropyl)-2,6-dioxo-3H-pyridine-5-carbonitrile?
The InChIKey is VXBMXFRJWLNXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7(2)6-13-10(14)4-8(3)9(5-12)11(13)15/h7H,4,6H2,1-3H3.
What are the key properties of 4-methyl-1-(2-methylpropyl)-2,6-dioxo-3H-pyridine-5-carbonitrile?
4-methyl-1-(2-methylpropyl)-2,6-dioxo-3H-pyridine-5-carbonitrile has a molecular weight of 206.24 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylpropyl)-2,6-dioxo-3H-pyridine-5-carbonitrile is sourced from PubChem (CID 50885397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).