ethyl 4-hydroxybutanimidate

C6H13NO2 — CID 53404341

IUPACethyl 4-hydroxybutanimidate
SMILES[H]/N=C(/CCCO)OCC
InChIInChI=1S/C6H13NO2/c1-2-9-6(7)4-3-5-8/h7-8H,2-5H2,1H3/b7-6-
InChIKeyUFKJWVXZPJUWHG-SREVYHEPSA-N
MW131.18 g/mol
LogP0.77
Rot. Bonds4

About ethyl 4-hydroxybutanimidate

ethyl 4-hydroxybutanimidate (PubChem CID 53404341) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is ethyl 4-hydroxybutanimidate.

Molecular Properties

Compound Nameethyl 4-hydroxybutanimidate
PubChem CID53404341
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Nameethyl 4-hydroxybutanimidate
SMILES[H]/N=C(/CCCO)OCC
InChIInChI=1S/C6H13NO2/c1-2-9-6(7)4-3-5-8/h7-8H,2-5H2,1H3/b7-6-
InChIKeyUFKJWVXZPJUWHG-SREVYHEPSA-N
XLogP0.77
TPSA53.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.77
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 ethyl 4-hydroxybutanimidate?
The IUPAC name of ethyl 4-hydroxybutanimidate (CID 53404341) is ethyl 4-hydroxybutanimidate.
What is the SMILES notation for ethyl 4-hydroxybutanimidate?
The canonical SMILES for ethyl 4-hydroxybutanimidate is [H]/N=C(/CCCO)OCC.
What is the InChIKey of ethyl 4-hydroxybutanimidate?
The InChIKey is UFKJWVXZPJUWHG-SREVYHEPSA-N. The full InChI is InChI=1S/C6H13NO2/c1-2-9-6(7)4-3-5-8/h7-8H,2-5H2,1H3/b7-6-.
What are the key properties of ethyl 4-hydroxybutanimidate?
ethyl 4-hydroxybutanimidate has a molecular weight of 131.18 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxybutanimidate is sourced from PubChem (CID 53404341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).