N-(2-formyliminoethylidene)formamide

C4H4N2O2 — CID 88538309

IUPACN-(2-formyliminoethylidene)formamide
SMILESO=C/N=C/C=N/C=O
InChIInChI=1S/C4H4N2O2/c7-3-5-1-2-6-4-8/h1-4H/b5-1+,6-2+
InChIKeyBWZCRPHDGQPZAN-IJIVKGSJSA-N
MW112.09 g/mol
LogP-0.56
Rot. Bonds3

About N-(2-formyliminoethylidene)formamide

N-(2-formyliminoethylidene)formamide (PubChem CID 88538309) has the molecular formula C4H4N2O2 and a molecular weight of 112.09 g/mol. Its IUPAC name is N-(2-formyliminoethylidene)formamide.

Molecular Properties

Compound NameN-(2-formyliminoethylidene)formamide
PubChem CID88538309
Molecular FormulaC4H4N2O2
Molecular Weight112.09 g/mol
Exact Mass112.03
IUPAC NameN-(2-formyliminoethylidene)formamide
SMILESO=C/N=C/C=N/C=O
InChIInChI=1S/C4H4N2O2/c7-3-5-1-2-6-4-8/h1-4H/b5-1+,6-2+
InChIKeyBWZCRPHDGQPZAN-IJIVKGSJSA-N
XLogP-0.56
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.09
LogP ≤ 5-0.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-formyliminoethylidene)formamide?
The IUPAC name of N-(2-formyliminoethylidene)formamide (CID 88538309) is N-(2-formyliminoethylidene)formamide.
What is the SMILES notation for N-(2-formyliminoethylidene)formamide?
The canonical SMILES for N-(2-formyliminoethylidene)formamide is O=C/N=C/C=N/C=O.
What is the InChIKey of N-(2-formyliminoethylidene)formamide?
The InChIKey is BWZCRPHDGQPZAN-IJIVKGSJSA-N. The full InChI is InChI=1S/C4H4N2O2/c7-3-5-1-2-6-4-8/h1-4H/b5-1+,6-2+.
What are the key properties of N-(2-formyliminoethylidene)formamide?
N-(2-formyliminoethylidene)formamide has a molecular weight of 112.09 g/mol, XLogP of -0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-formyliminoethylidene)formamide is sourced from PubChem (CID 88538309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).