acetaldehyde;nitrous acid

C2H5NO3 — CID 174522252

IUPACacetaldehyde;nitrous acid
SMILESCC=O.O=NO
InChIInChI=1S/C2H4O.HNO2/c1-2-3;2-1-3/h2H,1H3;(H,2,3)
InChIKeyBQWLPUJFDRZVOH-UHFFFAOYSA-N
MW91.07 g/mol
LogP0.35
Rot. Bonds

About acetaldehyde;nitrous acid

acetaldehyde;nitrous acid (PubChem CID 174522252) has the molecular formula C2H5NO3 and a molecular weight of 91.07 g/mol. Its IUPAC name is acetaldehyde;nitrous acid.

Molecular Properties

Compound Nameacetaldehyde;nitrous acid
PubChem CID174522252
Molecular FormulaC2H5NO3
Molecular Weight91.07 g/mol
Exact Mass91.03
IUPAC Nameacetaldehyde;nitrous acid
SMILESCC=O.O=NO
InChIInChI=1S/C2H4O.HNO2/c1-2-3;2-1-3/h2H,1H3;(H,2,3)
InChIKeyBQWLPUJFDRZVOH-UHFFFAOYSA-N
XLogP0.35
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.07
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze acetaldehyde;nitrous acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;nitrous acid?
The IUPAC name of acetaldehyde;nitrous acid (CID 174522252) is acetaldehyde;nitrous acid.
What is the SMILES notation for acetaldehyde;nitrous acid?
The canonical SMILES for acetaldehyde;nitrous acid is CC=O.O=NO.
What is the InChIKey of acetaldehyde;nitrous acid?
The InChIKey is BQWLPUJFDRZVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O.HNO2/c1-2-3;2-1-3/h2H,1H3;(H,2,3).
What are the key properties of acetaldehyde;nitrous acid?
acetaldehyde;nitrous acid has a molecular weight of 91.07 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;nitrous acid is sourced from PubChem (CID 174522252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).