hydrazinyl butanoate;hydrochloride

C4H11ClN2O2 — CID 87356625

IUPAChydrazinyl butanoate;hydrochloride
SMILESCCCC(=O)ONN.Cl
InChIInChI=1S/C4H10N2O2.ClH/c1-2-3-4(7)8-6-5;/h6H,2-3,5H2,1H3;1H
InChIKeyVRMKQARPOZFOIW-UHFFFAOYSA-N
MW154.60 g/mol
LogP0.13
Rot. Bonds3

About hydrazinyl butanoate;hydrochloride

hydrazinyl butanoate;hydrochloride (PubChem CID 87356625) has the molecular formula C4H11ClN2O2 and a molecular weight of 154.60 g/mol. Its IUPAC name is hydrazinyl butanoate;hydrochloride.

Molecular Properties

Compound Namehydrazinyl butanoate;hydrochloride
PubChem CID87356625
Molecular FormulaC4H11ClN2O2
Molecular Weight154.60 g/mol
Exact Mass154.05
IUPAC Namehydrazinyl butanoate;hydrochloride
SMILESCCCC(=O)ONN.Cl
InChIInChI=1S/C4H10N2O2.ClH/c1-2-3-4(7)8-6-5;/h6H,2-3,5H2,1H3;1H
InChIKeyVRMKQARPOZFOIW-UHFFFAOYSA-N
XLogP0.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.60
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

hydrazinyl 3-ethylsulfanylpropanoate
CID 66337704
ethyl (1,2-13C2)butanoate
CID 157463359
methyl butanoate;tetrahydrochloride
CID 173289582
ethyl butanoate
CID 7762
ethyl butanoate;N-ethylethanamine;hydrochloride
CID 175038746
hydrazinyl 3-(2-ethoxyethoxy)propanoate
CID 66338748
2-butanoyloxyethyl butanoate;methane
CID 161018761
chloromethyl butanoate
CID 2725008
methane;propyl butanoate
CID 157187060
hydrazinyl 3-butan-2-ylsulfanylpropanoate
CID 66337707
chromium;methyl butanoate
CID 174781983
hydrazinyl 3-(2-oxo-3-propylimidazol-1-yl)propanoate
CID 80582931

Frequently Asked Questions

What is the IUPAC name of hydrazinyl butanoate;hydrochloride?
The IUPAC name of hydrazinyl butanoate;hydrochloride (CID 87356625) is hydrazinyl butanoate;hydrochloride.
What is the SMILES notation for hydrazinyl butanoate;hydrochloride?
The canonical SMILES for hydrazinyl butanoate;hydrochloride is CCCC(=O)ONN.Cl.
What is the InChIKey of hydrazinyl butanoate;hydrochloride?
The InChIKey is VRMKQARPOZFOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2.ClH/c1-2-3-4(7)8-6-5;/h6H,2-3,5H2,1H3;1H.
What are the key properties of hydrazinyl butanoate;hydrochloride?
hydrazinyl butanoate;hydrochloride has a molecular weight of 154.60 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl butanoate;hydrochloride is sourced from PubChem (CID 87356625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).