2-methylprop-2-enehydrazide;hydrobromide

C4H9BrN2O — CID 155666627

IUPAC2-methylprop-2-enehydrazide;hydrobromide
SMILESBr.C=C(C)C(=O)NN
InChIInChI=1S/C4H8N2O.BrH/c1-3(2)4(7)6-5;/h1,5H2,2H3,(H,6,7);1H
InChIKeyWOAVCTVAEULLEA-UHFFFAOYSA-N
MW181.03 g/mol
LogP0.13
Rot. Bonds1

About 2-methylprop-2-enehydrazide;hydrobromide

2-methylprop-2-enehydrazide;hydrobromide (PubChem CID 155666627) has the molecular formula C4H9BrN2O and a molecular weight of 181.03 g/mol. Its IUPAC name is 2-methylprop-2-enehydrazide;hydrobromide.

Molecular Properties

Compound Name2-methylprop-2-enehydrazide;hydrobromide
PubChem CID155666627
Molecular FormulaC4H9BrN2O
Molecular Weight181.03 g/mol
Exact Mass179.99
IUPAC Name2-methylprop-2-enehydrazide;hydrobromide
SMILESBr.C=C(C)C(=O)NN
InChIInChI=1S/C4H8N2O.BrH/c1-3(2)4(7)6-5;/h1,5H2,2H3,(H,6,7);1H
InChIKeyWOAVCTVAEULLEA-UHFFFAOYSA-N
XLogP0.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.03
LogP ≤ 50.13
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enehydrazide;hydrobromide?
The IUPAC name of 2-methylprop-2-enehydrazide;hydrobromide (CID 155666627) is 2-methylprop-2-enehydrazide;hydrobromide.
What is the SMILES notation for 2-methylprop-2-enehydrazide;hydrobromide?
The canonical SMILES for 2-methylprop-2-enehydrazide;hydrobromide is Br.C=C(C)C(=O)NN.
What is the InChIKey of 2-methylprop-2-enehydrazide;hydrobromide?
The InChIKey is WOAVCTVAEULLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O.BrH/c1-3(2)4(7)6-5;/h1,5H2,2H3,(H,6,7);1H.
What are the key properties of 2-methylprop-2-enehydrazide;hydrobromide?
2-methylprop-2-enehydrazide;hydrobromide has a molecular weight of 181.03 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enehydrazide;hydrobromide is sourced from PubChem (CID 155666627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).