N-(hydroxymethylimino)propanamide

C4H8N2O2 — CID 20616809

IUPACN-(hydroxymethylimino)propanamide
SMILESCCC(=O)/N=N/CO
InChIInChI=1S/C4H8N2O2/c1-2-4(8)6-5-3-7/h7H,2-3H2,1H3/b6-5+
InChIKeyYOEYUSWTAVUTSL-AATRIKPKSA-N
MW116.12 g/mol
LogP0.32
Rot. Bonds2

About N-(hydroxymethylimino)propanamide

N-(hydroxymethylimino)propanamide (PubChem CID 20616809) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is N-(hydroxymethylimino)propanamide.

Molecular Properties

Compound NameN-(hydroxymethylimino)propanamide
PubChem CID20616809
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC NameN-(hydroxymethylimino)propanamide
SMILESCCC(=O)/N=N/CO
InChIInChI=1S/C4H8N2O2/c1-2-4(8)6-5-3-7/h7H,2-3H2,1H3/b6-5+
InChIKeyYOEYUSWTAVUTSL-AATRIKPKSA-N
XLogP0.32
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(hydroxymethylimino)propanamide?
The IUPAC name of N-(hydroxymethylimino)propanamide (CID 20616809) is N-(hydroxymethylimino)propanamide.
What is the SMILES notation for N-(hydroxymethylimino)propanamide?
The canonical SMILES for N-(hydroxymethylimino)propanamide is CCC(=O)/N=N/CO.
What is the InChIKey of N-(hydroxymethylimino)propanamide?
The InChIKey is YOEYUSWTAVUTSL-AATRIKPKSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-2-4(8)6-5-3-7/h7H,2-3H2,1H3/b6-5+.
What are the key properties of N-(hydroxymethylimino)propanamide?
N-(hydroxymethylimino)propanamide has a molecular weight of 116.12 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxymethylimino)propanamide is sourced from PubChem (CID 20616809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).