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

C9H10N2O3 — CID 89264552

IUPAC1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-3H-pyridine-5-carbonitrile
SMILESCC1=C(C#N)C(=O)N(CCO)C(=O)C1
InChIInChI=1S/C9H10N2O3/c1-6-4-8(13)11(2-3-12)9(14)7(6)5-10/h12H,2-4H2,1H3
InChIKeyWWRLEQZAMFKATB-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.42
Rot. Bonds2

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

1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-3H-pyridine-5-carbonitrile (PubChem CID 89264552) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-3H-pyridine-5-carbonitrile.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-3H-pyridine-5-carbonitrile
PubChem CID89264552
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-3H-pyridine-5-carbonitrile
SMILESCC1=C(C#N)C(=O)N(CCO)C(=O)C1
InChIInChI=1S/C9H10N2O3/c1-6-4-8(13)11(2-3-12)9(14)7(6)5-10/h12H,2-4H2,1H3
InChIKeyWWRLEQZAMFKATB-UHFFFAOYSA-N
XLogP-0.42
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
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 1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-3H-pyridine-5-carbonitrile?
The IUPAC name of 1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-3H-pyridine-5-carbonitrile (CID 89264552) is 1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-3H-pyridine-5-carbonitrile.
What is the SMILES notation for 1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-3H-pyridine-5-carbonitrile?
The canonical SMILES for 1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-3H-pyridine-5-carbonitrile is CC1=C(C#N)C(=O)N(CCO)C(=O)C1.
What is the InChIKey of 1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-3H-pyridine-5-carbonitrile?
The InChIKey is WWRLEQZAMFKATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-6-4-8(13)11(2-3-12)9(14)7(6)5-10/h12H,2-4H2,1H3.
What are the key properties of 1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-3H-pyridine-5-carbonitrile?
1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-3H-pyridine-5-carbonitrile has a molecular weight of 194.19 g/mol, XLogP of -0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-3H-pyridine-5-carbonitrile is sourced from PubChem (CID 89264552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).