ethyl 2-iminoacetate;hydrochloride

C4H8ClNO2 — CID 23624092

IUPACethyl 2-iminoacetate;hydrochloride
SMILESCl.[H]/N=C/C(=O)OCC
InChIInChI=1S/C4H7NO2.ClH/c1-2-7-4(6)3-5;/h3,5H,2H2,1H3;1H/b5-3+;
InChIKeyYMNVQAWHPDSUPZ-WGCWOXMQSA-N
MW137.57 g/mol
LogP0.62
Rot. Bonds2

About ethyl 2-iminoacetate;hydrochloride

ethyl 2-iminoacetate;hydrochloride (PubChem CID 23624092) has the molecular formula C4H8ClNO2 and a molecular weight of 137.57 g/mol. Its IUPAC name is ethyl 2-iminoacetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-iminoacetate;hydrochloride
PubChem CID23624092
Molecular FormulaC4H8ClNO2
Molecular Weight137.57 g/mol
Exact Mass137.02
IUPAC Nameethyl 2-iminoacetate;hydrochloride
SMILESCl.[H]/N=C/C(=O)OCC
InChIInChI=1S/C4H7NO2.ClH/c1-2-7-4(6)3-5;/h3,5H,2H2,1H3;1H/b5-3+;
InChIKeyYMNVQAWHPDSUPZ-WGCWOXMQSA-N
XLogP0.62
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.57
LogP ≤ 50.62
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 2-iminoacetate;hydrochloride?
The IUPAC name of ethyl 2-iminoacetate;hydrochloride (CID 23624092) is ethyl 2-iminoacetate;hydrochloride.
What is the SMILES notation for ethyl 2-iminoacetate;hydrochloride?
The canonical SMILES for ethyl 2-iminoacetate;hydrochloride is Cl.[H]/N=C/C(=O)OCC.
What is the InChIKey of ethyl 2-iminoacetate;hydrochloride?
The InChIKey is YMNVQAWHPDSUPZ-WGCWOXMQSA-N. The full InChI is InChI=1S/C4H7NO2.ClH/c1-2-7-4(6)3-5;/h3,5H,2H2,1H3;1H/b5-3+;.
What are the key properties of ethyl 2-iminoacetate;hydrochloride?
ethyl 2-iminoacetate;hydrochloride has a molecular weight of 137.57 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-iminoacetate;hydrochloride is sourced from PubChem (CID 23624092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).