ethyl 2-imino-2-phenylacetate;hydrochloride

C10H12ClNO2 — CID 86737148

IUPACethyl 2-imino-2-phenylacetate;hydrochloride
SMILESCl.[H]/N=C(\C(=O)OCC)c1ccccc1
InChIInChI=1S/C10H11NO2.ClH/c1-2-13-10(12)9(11)8-6-4-3-5-7-8;/h3-7,11H,2H2,1H3;1H/b11-9-;
InChIKeyHXDVBUOHJZMCDP-KSIDEHCFSA-N
MW213.66 g/mol
LogP2.04
Rot. Bonds3

About ethyl 2-imino-2-phenylacetate;hydrochloride

ethyl 2-imino-2-phenylacetate;hydrochloride (PubChem CID 86737148) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is ethyl 2-imino-2-phenylacetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-imino-2-phenylacetate;hydrochloride
PubChem CID86737148
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Nameethyl 2-imino-2-phenylacetate;hydrochloride
SMILESCl.[H]/N=C(\C(=O)OCC)c1ccccc1
InChIInChI=1S/C10H11NO2.ClH/c1-2-13-10(12)9(11)8-6-4-3-5-7-8;/h3-7,11H,2H2,1H3;1H/b11-9-;
InChIKeyHXDVBUOHJZMCDP-KSIDEHCFSA-N
XLogP2.04
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.04
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-imino-2-phenylacetate;hydrochloride?
The IUPAC name of ethyl 2-imino-2-phenylacetate;hydrochloride (CID 86737148) is ethyl 2-imino-2-phenylacetate;hydrochloride.
What is the SMILES notation for ethyl 2-imino-2-phenylacetate;hydrochloride?
The canonical SMILES for ethyl 2-imino-2-phenylacetate;hydrochloride is Cl.[H]/N=C(\C(=O)OCC)c1ccccc1.
What is the InChIKey of ethyl 2-imino-2-phenylacetate;hydrochloride?
The InChIKey is HXDVBUOHJZMCDP-KSIDEHCFSA-N. The full InChI is InChI=1S/C10H11NO2.ClH/c1-2-13-10(12)9(11)8-6-4-3-5-7-8;/h3-7,11H,2H2,1H3;1H/b11-9-;.
What are the key properties of ethyl 2-imino-2-phenylacetate;hydrochloride?
ethyl 2-imino-2-phenylacetate;hydrochloride has a molecular weight of 213.66 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-imino-2-phenylacetate;hydrochloride is sourced from PubChem (CID 86737148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).