(E)-3-aminoprop-2-enehydrazide

C3H7N3O — CID 89046550

IUPAC(E)-3-aminoprop-2-enehydrazide
SMILESN/C=C/C(=O)NN
InChIInChI=1S/C3H7N3O/c4-2-1-3(7)6-5/h1-2H,4-5H2,(H,6,7)/b2-1+
InChIKeySOSLMVOYYKQUHL-OWOJBTEDSA-N
MW101.11 g/mol
LogP-1.55
Rot. Bonds1

About (E)-3-aminoprop-2-enehydrazide

(E)-3-aminoprop-2-enehydrazide (PubChem CID 89046550) has the molecular formula C3H7N3O and a molecular weight of 101.11 g/mol. Its IUPAC name is (E)-3-aminoprop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-aminoprop-2-enehydrazide
PubChem CID89046550
Molecular FormulaC3H7N3O
Molecular Weight101.11 g/mol
Exact Mass101.06
IUPAC Name(E)-3-aminoprop-2-enehydrazide
SMILESN/C=C/C(=O)NN
InChIInChI=1S/C3H7N3O/c4-2-1-3(7)6-5/h1-2H,4-5H2,(H,6,7)/b2-1+
InChIKeySOSLMVOYYKQUHL-OWOJBTEDSA-N
XLogP-1.55
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.11
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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 (E)-3-aminoprop-2-enehydrazide?
The IUPAC name of (E)-3-aminoprop-2-enehydrazide (CID 89046550) is (E)-3-aminoprop-2-enehydrazide.
What is the SMILES notation for (E)-3-aminoprop-2-enehydrazide?
The canonical SMILES for (E)-3-aminoprop-2-enehydrazide is N/C=C/C(=O)NN.
What is the InChIKey of (E)-3-aminoprop-2-enehydrazide?
The InChIKey is SOSLMVOYYKQUHL-OWOJBTEDSA-N. The full InChI is InChI=1S/C3H7N3O/c4-2-1-3(7)6-5/h1-2H,4-5H2,(H,6,7)/b2-1+.
What are the key properties of (E)-3-aminoprop-2-enehydrazide?
(E)-3-aminoprop-2-enehydrazide has a molecular weight of 101.11 g/mol, XLogP of -1.55, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-aminoprop-2-enehydrazide is sourced from PubChem (CID 89046550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).