ethyl (Z)-3-(prop-2-enylamino)prop-2-enoate

C8H13NO2 — CID 134874531

IUPACethyl (Z)-3-(prop-2-enylamino)prop-2-enoate
SMILESC=CCN/C=C\C(=O)OCC
InChIInChI=1S/C8H13NO2/c1-3-6-9-7-5-8(10)11-4-2/h3,5,7,9H,1,4,6H2,2H3/b7-5-
InChIKeyXLKRKQDKQHUTAN-ALCCZGGFSA-N
MW155.20 g/mol
LogP0.84
Rot. Bonds5

About ethyl (Z)-3-(prop-2-enylamino)prop-2-enoate

ethyl (Z)-3-(prop-2-enylamino)prop-2-enoate (PubChem CID 134874531) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is ethyl (Z)-3-(prop-2-enylamino)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(prop-2-enylamino)prop-2-enoate
PubChem CID134874531
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Nameethyl (Z)-3-(prop-2-enylamino)prop-2-enoate
SMILESC=CCN/C=C\C(=O)OCC
InChIInChI=1S/C8H13NO2/c1-3-6-9-7-5-8(10)11-4-2/h3,5,7,9H,1,4,6H2,2H3/b7-5-
InChIKeyXLKRKQDKQHUTAN-ALCCZGGFSA-N
XLogP0.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (2Z)-3-(allylamino)-2-butenoate
CID 6024823
ethyl (Z)-3-acetamidoprop-2-enoate
CID 11298108
ethyl (Z)-3-(cyclopropylamino)prop-2-enoate
CID 21780563
Ethyl 3-(cyclopropylamino)prop-2-enoate
CID 53428729
ethyl (Z)-3-formamidoprop-2-enoate
CID 55288302
(Z)-ethyl 3-aminoacrylate
CID 59298373
2-Ethoxycarbonylvinylamine
CID 72250191
methyl (Z)-3-acetamidoprop-2-enoate
CID 92017036
3-Ethylaminoacrylic acid ethyl ester
CID 5702721
2,2,2-Trifluoroethyl 2-methyl-3-(prop-2-enylamino)prop-2-enoate
CID 173850132
N-(2-Carbomethoxyvinyl)methylamine
CID 5367889
methyl (E)-3-acetamidoprop-2-enoate
CID 11804871

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(prop-2-enylamino)prop-2-enoate?
The IUPAC name of ethyl (Z)-3-(prop-2-enylamino)prop-2-enoate (CID 134874531) is ethyl (Z)-3-(prop-2-enylamino)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(prop-2-enylamino)prop-2-enoate?
The canonical SMILES for ethyl (Z)-3-(prop-2-enylamino)prop-2-enoate is C=CCN/C=C\C(=O)OCC.
What is the InChIKey of ethyl (Z)-3-(prop-2-enylamino)prop-2-enoate?
The InChIKey is XLKRKQDKQHUTAN-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-6-9-7-5-8(10)11-4-2/h3,5,7,9H,1,4,6H2,2H3/b7-5-.
What are the key properties of ethyl (Z)-3-(prop-2-enylamino)prop-2-enoate?
ethyl (Z)-3-(prop-2-enylamino)prop-2-enoate has a molecular weight of 155.20 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(prop-2-enylamino)prop-2-enoate is sourced from PubChem (CID 134874531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).