ethyl 3-iminopropanoate;hydrochloride

C5H10ClNO2 — CID 22749236

IUPACethyl 3-iminopropanoate;hydrochloride
SMILESCl.[H]/N=C/CC(=O)OCC
InChIInChI=1S/C5H9NO2.ClH/c1-2-8-5(7)3-4-6;/h4,6H,2-3H2,1H3;1H/b6-4+;
InChIKeyXCCYASJQYRAERS-CVDVRWGVSA-N
MW151.59 g/mol
LogP1.01
Rot. Bonds3

About ethyl 3-iminopropanoate;hydrochloride

ethyl 3-iminopropanoate;hydrochloride (PubChem CID 22749236) has the molecular formula C5H10ClNO2 and a molecular weight of 151.59 g/mol. Its IUPAC name is ethyl 3-iminopropanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-iminopropanoate;hydrochloride
PubChem CID22749236
Molecular FormulaC5H10ClNO2
Molecular Weight151.59 g/mol
Exact Mass151.04
IUPAC Nameethyl 3-iminopropanoate;hydrochloride
SMILESCl.[H]/N=C/CC(=O)OCC
InChIInChI=1S/C5H9NO2.ClH/c1-2-8-5(7)3-4-6;/h4,6H,2-3H2,1H3;1H/b6-4+;
InChIKeyXCCYASJQYRAERS-CVDVRWGVSA-N
XLogP1.01
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.59
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-iminopropanoate;hydrochloride?
The IUPAC name of ethyl 3-iminopropanoate;hydrochloride (CID 22749236) is ethyl 3-iminopropanoate;hydrochloride.
What is the SMILES notation for ethyl 3-iminopropanoate;hydrochloride?
The canonical SMILES for ethyl 3-iminopropanoate;hydrochloride is Cl.[H]/N=C/CC(=O)OCC.
What is the InChIKey of ethyl 3-iminopropanoate;hydrochloride?
The InChIKey is XCCYASJQYRAERS-CVDVRWGVSA-N. The full InChI is InChI=1S/C5H9NO2.ClH/c1-2-8-5(7)3-4-6;/h4,6H,2-3H2,1H3;1H/b6-4+;.
What are the key properties of ethyl 3-iminopropanoate;hydrochloride?
ethyl 3-iminopropanoate;hydrochloride has a molecular weight of 151.59 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-iminopropanoate;hydrochloride is sourced from PubChem (CID 22749236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).