ethyl 2-[(Z)-2-aminoethenyl]iminopropanoate

C7H12N2O2 — CID 156513409

IUPACethyl 2-[(Z)-2-aminoethenyl]iminopropanoate
SMILESCCOC(=O)/C(C)=N/C=C\N
InChIInChI=1S/C7H12N2O2/c1-3-11-7(10)6(2)9-5-4-8/h4-5H,3,8H2,1-2H3/b5-4-,9-6+
InChIKeyWCVWSPCYXCGYGB-KMOPYBJPSA-N
MW156.19 g/mol
LogP0.44
Rot. Bonds3

About ethyl 2-[(Z)-2-aminoethenyl]iminopropanoate

ethyl 2-[(Z)-2-aminoethenyl]iminopropanoate (PubChem CID 156513409) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is ethyl 2-[(Z)-2-aminoethenyl]iminopropanoate.

Molecular Properties

Compound Nameethyl 2-[(Z)-2-aminoethenyl]iminopropanoate
PubChem CID156513409
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Nameethyl 2-[(Z)-2-aminoethenyl]iminopropanoate
SMILESCCOC(=O)/C(C)=N/C=C\N
InChIInChI=1S/C7H12N2O2/c1-3-11-7(10)6(2)9-5-4-8/h4-5H,3,8H2,1-2H3/b5-4-,9-6+
InChIKeyWCVWSPCYXCGYGB-KMOPYBJPSA-N
XLogP0.44
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-hydroxyiminopropanoate
CID 6399798
ethyl 3-amino-2-methylprop-2-enoate
CID 54558291
ethyl 2-oxo(213C)propanoate
CID 71309469
CID 159370772
CID 159370772
ethyl 3-formyl-2-methyl-4-oxobut-2-enoate
CID 175554584
1-ethoxy-N-methyl-1-oxopropan-2-imine oxide
CID 10877249
1-ethoxy-N-methyl-1-oxopropan-2-imine oxide
CID 10866467
diethyl oxalate;ethyl acetate
CID 160900883
CID 159689459
CID 159689459
ethyl 2-methyl-3-oxoprop-2-enoate
CID 15062324
ethyl 2-oxopropanoate;nitrous acid
CID 174912891
(1-ethoxy-1-oxopropan-2-ylidene)-bis(prop-2-enyl)azanium chloride
CID 88713859

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(Z)-2-aminoethenyl]iminopropanoate?
The IUPAC name of ethyl 2-[(Z)-2-aminoethenyl]iminopropanoate (CID 156513409) is ethyl 2-[(Z)-2-aminoethenyl]iminopropanoate.
What is the SMILES notation for ethyl 2-[(Z)-2-aminoethenyl]iminopropanoate?
The canonical SMILES for ethyl 2-[(Z)-2-aminoethenyl]iminopropanoate is CCOC(=O)/C(C)=N/C=C\N.
What is the InChIKey of ethyl 2-[(Z)-2-aminoethenyl]iminopropanoate?
The InChIKey is WCVWSPCYXCGYGB-KMOPYBJPSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-3-11-7(10)6(2)9-5-4-8/h4-5H,3,8H2,1-2H3/b5-4-,9-6+.
What are the key properties of ethyl 2-[(Z)-2-aminoethenyl]iminopropanoate?
ethyl 2-[(Z)-2-aminoethenyl]iminopropanoate has a molecular weight of 156.19 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(Z)-2-aminoethenyl]iminopropanoate is sourced from PubChem (CID 156513409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).