2-(4-methyl-1-nitroso-6-oxo-2,3-dihydropyridin-5-yl)ethyl acetate

C10H14N2O4 — CID 142693443

IUPAC2-(4-methyl-1-nitroso-6-oxo-2,3-dihydropyridin-5-yl)ethyl acetate
SMILESCC(=O)OCCC1=C(C)CCN(N=O)C1=O
InChIInChI=1S/C10H14N2O4/c1-7-3-5-12(11-15)10(14)9(7)4-6-16-8(2)13/h3-6H2,1-2H3
InChIKeyOJEBEBRYQGXGHX-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.17
Rot. Bonds4

About 2-(4-methyl-1-nitroso-6-oxo-2,3-dihydropyridin-5-yl)ethyl acetate

2-(4-methyl-1-nitroso-6-oxo-2,3-dihydropyridin-5-yl)ethyl acetate (PubChem CID 142693443) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-(4-methyl-1-nitroso-6-oxo-2,3-dihydropyridin-5-yl)ethyl acetate.

Molecular Properties

Compound Name2-(4-methyl-1-nitroso-6-oxo-2,3-dihydropyridin-5-yl)ethyl acetate
PubChem CID142693443
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-(4-methyl-1-nitroso-6-oxo-2,3-dihydropyridin-5-yl)ethyl acetate
SMILESCC(=O)OCCC1=C(C)CCN(N=O)C1=O
InChIInChI=1S/C10H14N2O4/c1-7-3-5-12(11-15)10(14)9(7)4-6-16-8(2)13/h3-6H2,1-2H3
InChIKeyOJEBEBRYQGXGHX-UHFFFAOYSA-N
XLogP1.17
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-nitroso-6-oxo-2,3-dihydropyridin-5-yl)ethyl acetate?
The IUPAC name of 2-(4-methyl-1-nitroso-6-oxo-2,3-dihydropyridin-5-yl)ethyl acetate (CID 142693443) is 2-(4-methyl-1-nitroso-6-oxo-2,3-dihydropyridin-5-yl)ethyl acetate.
What is the SMILES notation for 2-(4-methyl-1-nitroso-6-oxo-2,3-dihydropyridin-5-yl)ethyl acetate?
The canonical SMILES for 2-(4-methyl-1-nitroso-6-oxo-2,3-dihydropyridin-5-yl)ethyl acetate is CC(=O)OCCC1=C(C)CCN(N=O)C1=O.
What is the InChIKey of 2-(4-methyl-1-nitroso-6-oxo-2,3-dihydropyridin-5-yl)ethyl acetate?
The InChIKey is OJEBEBRYQGXGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-7-3-5-12(11-15)10(14)9(7)4-6-16-8(2)13/h3-6H2,1-2H3.
What are the key properties of 2-(4-methyl-1-nitroso-6-oxo-2,3-dihydropyridin-5-yl)ethyl acetate?
2-(4-methyl-1-nitroso-6-oxo-2,3-dihydropyridin-5-yl)ethyl acetate has a molecular weight of 226.23 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-nitroso-6-oxo-2,3-dihydropyridin-5-yl)ethyl acetate is sourced from PubChem (CID 142693443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).