N-formamidoformamide

C2H4N2O2 — CID 12342

IUPACN-formamidoformamide
SMILESO=CNNC=O
InChIInChI=1S/C2H4N2O2/c5-1-3-4-2-6/h1-2H,(H,3,5)(H,4,6)
InChIKeyPOVXOWVFLAAVBH-UHFFFAOYSA-N
MW88.07 g/mol
LogP-1.61
Rot. Bonds3

About N-formamidoformamide

N-formamidoformamide (PubChem CID 12342) has the molecular formula C2H4N2O2 and a molecular weight of 88.07 g/mol. Its IUPAC name is N-formamidoformamide.

Molecular Properties

Compound NameN-formamidoformamide
PubChem CID12342
Molecular FormulaC2H4N2O2
Molecular Weight88.07 g/mol
Exact Mass88.03
IUPAC NameN-formamidoformamide
SMILESO=CNNC=O
InChIInChI=1S/C2H4N2O2/c5-1-3-4-2-6/h1-2H,(H,3,5)(H,4,6)
InChIKeyPOVXOWVFLAAVBH-UHFFFAOYSA-N
XLogP-1.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.07
LogP ≤ 5-1.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-formamidoformamide?
The IUPAC name of N-formamidoformamide (CID 12342) is N-formamidoformamide.
What is the SMILES notation for N-formamidoformamide?
The canonical SMILES for N-formamidoformamide is O=CNNC=O.
What is the InChIKey of N-formamidoformamide?
The InChIKey is POVXOWVFLAAVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N2O2/c5-1-3-4-2-6/h1-2H,(H,3,5)(H,4,6).
What are the key properties of N-formamidoformamide?
N-formamidoformamide has a molecular weight of 88.07 g/mol, XLogP of -1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-formamidoformamide is sourced from PubChem (CID 12342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).