ethyl ethanimidate;hydrochloride

C4H10ClNO — CID 2724290

IUPACethyl ethanimidate;hydrochloride
SMILESCl.[H]/N=C(\C)OCC
InChIInChI=1S/C4H9NO.ClH/c1-3-6-4(2)5;/h5H,3H2,1-2H3;1H/b5-4+;
InChIKeyWGMHMVLZFAJNOT-FXRZFVDSSA-N
MW123.58 g/mol
LogP1.44
Rot. Bonds1

About ethyl ethanimidate;hydrochloride

ethyl ethanimidate;hydrochloride (PubChem CID 2724290) has the molecular formula C4H10ClNO and a molecular weight of 123.58 g/mol. Its IUPAC name is ethyl ethanimidate;hydrochloride.

Molecular Properties

Compound Nameethyl ethanimidate;hydrochloride
PubChem CID2724290
Molecular FormulaC4H10ClNO
Molecular Weight123.58 g/mol
Exact Mass123.05
IUPAC Nameethyl ethanimidate;hydrochloride
SMILESCl.[H]/N=C(\C)OCC
InChIInChI=1S/C4H9NO.ClH/c1-3-6-4(2)5;/h5H,3H2,1-2H3;1H/b5-4+;
InChIKeyWGMHMVLZFAJNOT-FXRZFVDSSA-N
XLogP1.44
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.58
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 ethanimidate;hydrochloride?
The IUPAC name of ethyl ethanimidate;hydrochloride (CID 2724290) is ethyl ethanimidate;hydrochloride.
What is the SMILES notation for ethyl ethanimidate;hydrochloride?
The canonical SMILES for ethyl ethanimidate;hydrochloride is Cl.[H]/N=C(\C)OCC.
What is the InChIKey of ethyl ethanimidate;hydrochloride?
The InChIKey is WGMHMVLZFAJNOT-FXRZFVDSSA-N. The full InChI is InChI=1S/C4H9NO.ClH/c1-3-6-4(2)5;/h5H,3H2,1-2H3;1H/b5-4+;.
What are the key properties of ethyl ethanimidate;hydrochloride?
ethyl ethanimidate;hydrochloride has a molecular weight of 123.58 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl ethanimidate;hydrochloride is sourced from PubChem (CID 2724290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).