acetaldehyde;azane

C2H10N2O — CID 158638397

IUPACacetaldehyde;azane
SMILESCC=O.N.N
InChIInChI=1S/C2H4O.2H3N/c1-2-3;;/h2H,1H3;2*1H3
InChIKeyIABDNSRIARUDAW-UHFFFAOYSA-N
MW78.11 g/mol
LogP0.53
Rot. Bonds

About acetaldehyde;azane

acetaldehyde;azane (PubChem CID 158638397) has the molecular formula C2H10N2O and a molecular weight of 78.11 g/mol. Its IUPAC name is acetaldehyde;azane.

Molecular Properties

Compound Nameacetaldehyde;azane
PubChem CID158638397
Molecular FormulaC2H10N2O
Molecular Weight78.11 g/mol
Exact Mass78.08
IUPAC Nameacetaldehyde;azane
SMILESCC=O.N.N
InChIInChI=1S/C2H4O.2H3N/c1-2-3;;/h2H,1H3;2*1H3
InChIKeyIABDNSRIARUDAW-UHFFFAOYSA-N
XLogP0.53
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.11
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetaldehyde
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acetaldehyde;gold
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acetaldehyde;manganese
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CID 162678800
CID 162678800
potassium;acetaldehyde;chloride
CID 174943884
acetaldehyde;ethane;methane
CID 159605506
acetaldehyde;methanol
CID 19366238
strontium;acetaldehyde;hydride
CID 173047078
CID 175203398
CID 175203398

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;azane?
The IUPAC name of acetaldehyde;azane (CID 158638397) is acetaldehyde;azane.
What is the SMILES notation for acetaldehyde;azane?
The canonical SMILES for acetaldehyde;azane is CC=O.N.N.
What is the InChIKey of acetaldehyde;azane?
The InChIKey is IABDNSRIARUDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O.2H3N/c1-2-3;;/h2H,1H3;2*1H3.
What are the key properties of acetaldehyde;azane?
acetaldehyde;azane has a molecular weight of 78.11 g/mol, XLogP of 0.53, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;azane is sourced from PubChem (CID 158638397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).