1-ethyl-2-hydroxy-4-methyl-6-oxo-2,3-dihydropyridine-5-carbonitrile

C9H12N2O2 — CID 163449882

IUPAC1-ethyl-2-hydroxy-4-methyl-6-oxo-2,3-dihydropyridine-5-carbonitrile
SMILESCCN1C(=O)C(C#N)=C(C)CC1O
InChIInChI=1S/C9H12N2O2/c1-3-11-8(12)4-6(2)7(5-10)9(11)13/h8,12H,3-4H2,1-2H3
InChIKeyBFSAIAHFKOPBOH-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.40
Rot. Bonds1

About 1-ethyl-2-hydroxy-4-methyl-6-oxo-2,3-dihydropyridine-5-carbonitrile

1-ethyl-2-hydroxy-4-methyl-6-oxo-2,3-dihydropyridine-5-carbonitrile (PubChem CID 163449882) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-ethyl-2-hydroxy-4-methyl-6-oxo-2,3-dihydropyridine-5-carbonitrile.

Molecular Properties

Compound Name1-ethyl-2-hydroxy-4-methyl-6-oxo-2,3-dihydropyridine-5-carbonitrile
PubChem CID163449882
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-ethyl-2-hydroxy-4-methyl-6-oxo-2,3-dihydropyridine-5-carbonitrile
SMILESCCN1C(=O)C(C#N)=C(C)CC1O
InChIInChI=1S/C9H12N2O2/c1-3-11-8(12)4-6(2)7(5-10)9(11)13/h8,12H,3-4H2,1-2H3
InChIKeyBFSAIAHFKOPBOH-UHFFFAOYSA-N
XLogP0.40
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-hydroxyhexyl)-4-methyl-2,6-dioxo-3H-pyridine-5-carbonitrile
CID 67468585
1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-3H-pyridine-5-carbonitrile
CID 89264552
1-(hydroxymethyl)-4-methyl-2,6-dioxo-3H-pyridine-5-carbonitrile
CID 89406663
1-[3-(Dimethylamino)propyl]-2-hydroxy-4,5-dimethyl-2,3-dihydropyridin-6-one
CID 90897281
2-Hydroxy-1,4-dimethyl-6-oxo-2,5-dihydropyridine-3-carbonitrile
CID 91416215
1-(3-Hydroxypropyl)-4-methyl-6-oxo-2,5-dihydropyridine-3-carbonitrile
CID 140234146
2-hydroxy-4-methyl-3-methylidene-6-oxo-1-propyl-2H-pyridine-5-carbonitrile
CID 142172978
N-(5-cyano-2-hydroxy-4-methyl-6-oxo-2,3-dihydropyridin-1-yl)-N,2,2-trimethylpropanamide
CID 164080022
1-(2-hydroxyethyl)-3-(hydroxymethyl)-4-methyl-2,6-dioxo-3H-pyridine-5-carbonitrile
CID 45919153
6-Hydroxy-1-(3-hydroxypropyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 50888636

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-hydroxy-4-methyl-6-oxo-2,3-dihydropyridine-5-carbonitrile?
The IUPAC name of 1-ethyl-2-hydroxy-4-methyl-6-oxo-2,3-dihydropyridine-5-carbonitrile (CID 163449882) is 1-ethyl-2-hydroxy-4-methyl-6-oxo-2,3-dihydropyridine-5-carbonitrile.
What is the SMILES notation for 1-ethyl-2-hydroxy-4-methyl-6-oxo-2,3-dihydropyridine-5-carbonitrile?
The canonical SMILES for 1-ethyl-2-hydroxy-4-methyl-6-oxo-2,3-dihydropyridine-5-carbonitrile is CCN1C(=O)C(C#N)=C(C)CC1O.
What is the InChIKey of 1-ethyl-2-hydroxy-4-methyl-6-oxo-2,3-dihydropyridine-5-carbonitrile?
The InChIKey is BFSAIAHFKOPBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-3-11-8(12)4-6(2)7(5-10)9(11)13/h8,12H,3-4H2,1-2H3.
What are the key properties of 1-ethyl-2-hydroxy-4-methyl-6-oxo-2,3-dihydropyridine-5-carbonitrile?
1-ethyl-2-hydroxy-4-methyl-6-oxo-2,3-dihydropyridine-5-carbonitrile has a molecular weight of 180.21 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-hydroxy-4-methyl-6-oxo-2,3-dihydropyridine-5-carbonitrile is sourced from PubChem (CID 163449882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).