2-cyanoprop-2-enehydrazide

C4H5N3O — CID 87129507

IUPAC2-cyanoprop-2-enehydrazide
SMILESC=C(C#N)C(=O)NN
InChIInChI=1S/C4H5N3O/c1-3(2-5)4(8)7-6/h1,6H2,(H,7,8)
InChIKeyHVMFOJIRUJXELB-UHFFFAOYSA-N
MW111.10 g/mol
LogP-0.94
Rot. Bonds1

About 2-cyanoprop-2-enehydrazide

2-cyanoprop-2-enehydrazide (PubChem CID 87129507) has the molecular formula C4H5N3O and a molecular weight of 111.10 g/mol. Its IUPAC name is 2-cyanoprop-2-enehydrazide.

Molecular Properties

Compound Name2-cyanoprop-2-enehydrazide
PubChem CID87129507
Molecular FormulaC4H5N3O
Molecular Weight111.10 g/mol
Exact Mass111.04
IUPAC Name2-cyanoprop-2-enehydrazide
SMILESC=C(C#N)C(=O)NN
InChIInChI=1S/C4H5N3O/c1-3(2-5)4(8)7-6/h1,6H2,(H,7,8)
InChIKeyHVMFOJIRUJXELB-UHFFFAOYSA-N
XLogP-0.94
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', '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 2-cyanoprop-2-enehydrazide?
The IUPAC name of 2-cyanoprop-2-enehydrazide (CID 87129507) is 2-cyanoprop-2-enehydrazide.
What is the SMILES notation for 2-cyanoprop-2-enehydrazide?
The canonical SMILES for 2-cyanoprop-2-enehydrazide is C=C(C#N)C(=O)NN.
What is the InChIKey of 2-cyanoprop-2-enehydrazide?
The InChIKey is HVMFOJIRUJXELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O/c1-3(2-5)4(8)7-6/h1,6H2,(H,7,8).
What are the key properties of 2-cyanoprop-2-enehydrazide?
2-cyanoprop-2-enehydrazide has a molecular weight of 111.10 g/mol, XLogP of -0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoprop-2-enehydrazide is sourced from PubChem (CID 87129507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).