2-cyano-N-methylprop-2-enehydrazide

C5H7N3O — CID 130459676

IUPAC2-cyano-N-methylprop-2-enehydrazide
SMILESC=C(C#N)C(=O)N(C)N
InChIInChI=1S/C5H7N3O/c1-4(3-6)5(9)8(2)7/h1,7H2,2H3
InChIKeyLFFFHFDUNOEGIJ-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.60
Rot. Bonds1

About 2-cyano-N-methylprop-2-enehydrazide

2-cyano-N-methylprop-2-enehydrazide (PubChem CID 130459676) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 2-cyano-N-methylprop-2-enehydrazide.

Molecular Properties

Compound Name2-cyano-N-methylprop-2-enehydrazide
PubChem CID130459676
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name2-cyano-N-methylprop-2-enehydrazide
SMILESC=C(C#N)C(=O)N(C)N
InChIInChI=1S/C5H7N3O/c1-4(3-6)5(9)8(2)7/h1,7H2,2H3
InChIKeyLFFFHFDUNOEGIJ-UHFFFAOYSA-N
XLogP-0.60
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
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-cyano-N-methylprop-2-enehydrazide?
The IUPAC name of 2-cyano-N-methylprop-2-enehydrazide (CID 130459676) is 2-cyano-N-methylprop-2-enehydrazide.
What is the SMILES notation for 2-cyano-N-methylprop-2-enehydrazide?
The canonical SMILES for 2-cyano-N-methylprop-2-enehydrazide is C=C(C#N)C(=O)N(C)N.
What is the InChIKey of 2-cyano-N-methylprop-2-enehydrazide?
The InChIKey is LFFFHFDUNOEGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c1-4(3-6)5(9)8(2)7/h1,7H2,2H3.
What are the key properties of 2-cyano-N-methylprop-2-enehydrazide?
2-cyano-N-methylprop-2-enehydrazide has a molecular weight of 125.13 g/mol, XLogP of -0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-methylprop-2-enehydrazide is sourced from PubChem (CID 130459676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).