2-cyclobutylideneacetohydrazide;hydrochloride

C6H11ClN2O — CID 131065748

IUPAC2-cyclobutylideneacetohydrazide;hydrochloride
SMILESCl.NNC(=O)C=C1CCC1
InChIInChI=1S/C6H10N2O.ClH/c7-8-6(9)4-5-2-1-3-5;/h4H,1-3,7H2,(H,8,9);1H
InChIKeyBZMCTMXSUJFFQL-UHFFFAOYSA-N
MW162.62 g/mol
LogP0.51
Rot. Bonds1

About 2-cyclobutylideneacetohydrazide;hydrochloride

2-cyclobutylideneacetohydrazide;hydrochloride (PubChem CID 131065748) has the molecular formula C6H11ClN2O and a molecular weight of 162.62 g/mol. Its IUPAC name is 2-cyclobutylideneacetohydrazide;hydrochloride.

Molecular Properties

Compound Name2-cyclobutylideneacetohydrazide;hydrochloride
PubChem CID131065748
Molecular FormulaC6H11ClN2O
Molecular Weight162.62 g/mol
Exact Mass162.06
IUPAC Name2-cyclobutylideneacetohydrazide;hydrochloride
SMILESCl.NNC(=O)C=C1CCC1
InChIInChI=1S/C6H10N2O.ClH/c7-8-6(9)4-5-2-1-3-5;/h4H,1-3,7H2,(H,8,9);1H
InChIKeyBZMCTMXSUJFFQL-UHFFFAOYSA-N
XLogP0.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 50.51
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-cyclobutylideneacetohydrazide;hydrochloride?
The IUPAC name of 2-cyclobutylideneacetohydrazide;hydrochloride (CID 131065748) is 2-cyclobutylideneacetohydrazide;hydrochloride.
What is the SMILES notation for 2-cyclobutylideneacetohydrazide;hydrochloride?
The canonical SMILES for 2-cyclobutylideneacetohydrazide;hydrochloride is Cl.NNC(=O)C=C1CCC1.
What is the InChIKey of 2-cyclobutylideneacetohydrazide;hydrochloride?
The InChIKey is BZMCTMXSUJFFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.ClH/c7-8-6(9)4-5-2-1-3-5;/h4H,1-3,7H2,(H,8,9);1H.
What are the key properties of 2-cyclobutylideneacetohydrazide;hydrochloride?
2-cyclobutylideneacetohydrazide;hydrochloride has a molecular weight of 162.62 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylideneacetohydrazide;hydrochloride is sourced from PubChem (CID 131065748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).