2-[2-(oxomethylidene)hydrazinyl]propanamide

C4H7N3O2 — CID 176897455

IUPAC2-[2-(oxomethylidene)hydrazinyl]propanamide
SMILESCC(NN=C=O)C(N)=O
InChIInChI=1S/C4H7N3O2/c1-3(4(5)9)7-6-2-8/h3,7H,1H3,(H2,5,9)
InChIKeyDZZROQSAZQXZNG-UHFFFAOYSA-N
MW129.12 g/mol
LogP-1.30
Rot. Bonds3

About 2-[2-(oxomethylidene)hydrazinyl]propanamide

2-[2-(oxomethylidene)hydrazinyl]propanamide (PubChem CID 176897455) has the molecular formula C4H7N3O2 and a molecular weight of 129.12 g/mol. Its IUPAC name is 2-[2-(oxomethylidene)hydrazinyl]propanamide.

Molecular Properties

Compound Name2-[2-(oxomethylidene)hydrazinyl]propanamide
PubChem CID176897455
Molecular FormulaC4H7N3O2
Molecular Weight129.12 g/mol
Exact Mass129.05
IUPAC Name2-[2-(oxomethylidene)hydrazinyl]propanamide
SMILESCC(NN=C=O)C(N)=O
InChIInChI=1S/C4H7N3O2/c1-3(4(5)9)7-6-2-8/h3,7H,1H3,(H2,5,9)
InChIKeyDZZROQSAZQXZNG-UHFFFAOYSA-N
XLogP-1.30
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', '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 2-[2-(oxomethylidene)hydrazinyl]propanamide?
The IUPAC name of 2-[2-(oxomethylidene)hydrazinyl]propanamide (CID 176897455) is 2-[2-(oxomethylidene)hydrazinyl]propanamide.
What is the SMILES notation for 2-[2-(oxomethylidene)hydrazinyl]propanamide?
The canonical SMILES for 2-[2-(oxomethylidene)hydrazinyl]propanamide is CC(NN=C=O)C(N)=O.
What is the InChIKey of 2-[2-(oxomethylidene)hydrazinyl]propanamide?
The InChIKey is DZZROQSAZQXZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O2/c1-3(4(5)9)7-6-2-8/h3,7H,1H3,(H2,5,9).
What are the key properties of 2-[2-(oxomethylidene)hydrazinyl]propanamide?
2-[2-(oxomethylidene)hydrazinyl]propanamide has a molecular weight of 129.12 g/mol, XLogP of -1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxomethylidene)hydrazinyl]propanamide is sourced from PubChem (CID 176897455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).