methyl 4-hydroxybutanimidate;hydrochloride

C5H12ClNO2 — CID 90021025

IUPACmethyl 4-hydroxybutanimidate;hydrochloride
SMILESCl.[H]/N=C(/CCCO)OC
InChIInChI=1S/C5H11NO2.ClH/c1-8-5(6)3-2-4-7;/h6-7H,2-4H2,1H3;1H/b6-5-;
InChIKeyQBOCXLSLWCRJQT-YSMBQZINSA-N
MW153.61 g/mol
LogP0.80
Rot. Bonds3

About methyl 4-hydroxybutanimidate;hydrochloride

methyl 4-hydroxybutanimidate;hydrochloride (PubChem CID 90021025) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is methyl 4-hydroxybutanimidate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-hydroxybutanimidate;hydrochloride
PubChem CID90021025
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Namemethyl 4-hydroxybutanimidate;hydrochloride
SMILESCl.[H]/N=C(/CCCO)OC
InChIInChI=1S/C5H11NO2.ClH/c1-8-5(6)3-2-4-7;/h6-7H,2-4H2,1H3;1H/b6-5-;
InChIKeyQBOCXLSLWCRJQT-YSMBQZINSA-N
XLogP0.80
TPSA53.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxybutanimidate;hydrochloride?
The IUPAC name of methyl 4-hydroxybutanimidate;hydrochloride (CID 90021025) is methyl 4-hydroxybutanimidate;hydrochloride.
What is the SMILES notation for methyl 4-hydroxybutanimidate;hydrochloride?
The canonical SMILES for methyl 4-hydroxybutanimidate;hydrochloride is Cl.[H]/N=C(/CCCO)OC.
What is the InChIKey of methyl 4-hydroxybutanimidate;hydrochloride?
The InChIKey is QBOCXLSLWCRJQT-YSMBQZINSA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c1-8-5(6)3-2-4-7;/h6-7H,2-4H2,1H3;1H/b6-5-;.
What are the key properties of methyl 4-hydroxybutanimidate;hydrochloride?
methyl 4-hydroxybutanimidate;hydrochloride has a molecular weight of 153.61 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxybutanimidate;hydrochloride is sourced from PubChem (CID 90021025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).