2,3-dinitrosobutanoic acid

C4H6N2O4 — CID 56606829

IUPAC2,3-dinitrosobutanoic acid
SMILESCC(N=O)C(N=O)C(=O)O
InChIInChI=1S/C4H6N2O4/c1-2(5-9)3(6-10)4(7)8/h2-3H,1H3,(H,7,8)
InChIKeyOQNFHUVJYSRSEL-UHFFFAOYSA-N
MW146.10 g/mol
LogP0.36
Rot. Bonds4

About 2,3-dinitrosobutanoic acid

2,3-dinitrosobutanoic acid (PubChem CID 56606829) has the molecular formula C4H6N2O4 and a molecular weight of 146.10 g/mol. Its IUPAC name is 2,3-dinitrosobutanoic acid.

Molecular Properties

Compound Name2,3-dinitrosobutanoic acid
PubChem CID56606829
Molecular FormulaC4H6N2O4
Molecular Weight146.10 g/mol
Exact Mass146.03
IUPAC Name2,3-dinitrosobutanoic acid
SMILESCC(N=O)C(N=O)C(=O)O
InChIInChI=1S/C4H6N2O4/c1-2(5-9)3(6-10)4(7)8/h2-3H,1H3,(H,7,8)
InChIKeyOQNFHUVJYSRSEL-UHFFFAOYSA-N
XLogP0.36
TPSA96.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.10
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dinitrosobutanoic acid?
The IUPAC name of 2,3-dinitrosobutanoic acid (CID 56606829) is 2,3-dinitrosobutanoic acid.
What is the SMILES notation for 2,3-dinitrosobutanoic acid?
The canonical SMILES for 2,3-dinitrosobutanoic acid is CC(N=O)C(N=O)C(=O)O.
What is the InChIKey of 2,3-dinitrosobutanoic acid?
The InChIKey is OQNFHUVJYSRSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O4/c1-2(5-9)3(6-10)4(7)8/h2-3H,1H3,(H,7,8).
What are the key properties of 2,3-dinitrosobutanoic acid?
2,3-dinitrosobutanoic acid has a molecular weight of 146.10 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dinitrosobutanoic acid is sourced from PubChem (CID 56606829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).