2-methylidenebutanehydrazide

C5H10N2O — CID 21280193

IUPAC2-methylidenebutanehydrazide
SMILESC=C(CC)C(=O)NN
InChIInChI=1S/C5H10N2O/c1-3-4(2)5(8)7-6/h2-3,6H2,1H3,(H,7,8)
InChIKeyFPELLJPIGXXMKB-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.06
Rot. Bonds2

About 2-methylidenebutanehydrazide

2-methylidenebutanehydrazide (PubChem CID 21280193) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 2-methylidenebutanehydrazide.

Molecular Properties

Compound Name2-methylidenebutanehydrazide
PubChem CID21280193
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name2-methylidenebutanehydrazide
SMILESC=C(CC)C(=O)NN
InChIInChI=1S/C5H10N2O/c1-3-4(2)5(8)7-6/h2-3,6H2,1H3,(H,7,8)
InChIKeyFPELLJPIGXXMKB-UHFFFAOYSA-N
XLogP-0.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

Analyze 2-methylidenebutanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylidenebutanehydrazide?
The IUPAC name of 2-methylidenebutanehydrazide (CID 21280193) is 2-methylidenebutanehydrazide.
What is the SMILES notation for 2-methylidenebutanehydrazide?
The canonical SMILES for 2-methylidenebutanehydrazide is C=C(CC)C(=O)NN.
What is the InChIKey of 2-methylidenebutanehydrazide?
The InChIKey is FPELLJPIGXXMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-3-4(2)5(8)7-6/h2-3,6H2,1H3,(H,7,8).
What are the key properties of 2-methylidenebutanehydrazide?
2-methylidenebutanehydrazide has a molecular weight of 114.15 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenebutanehydrazide is sourced from PubChem (CID 21280193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).