ethyl (Z)-3-formamidoprop-2-enoate

C6H9NO3 — CID 55288302

IUPACethyl (Z)-3-formamidoprop-2-enoate
SMILESCCOC(=O)/C=C\NC=O
InChIInChI=1S/C6H9NO3/c1-2-10-6(9)3-4-7-5-8/h3-5H,2H2,1H3,(H,7,8)/b4-3-
InChIKeyZVARUDKCXGGBAZ-ARJAWSKDSA-N
MW143.14 g/mol
LogP-0.19
Rot. Bonds4

About ethyl (Z)-3-formamidoprop-2-enoate

ethyl (Z)-3-formamidoprop-2-enoate (PubChem CID 55288302) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is ethyl (Z)-3-formamidoprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-formamidoprop-2-enoate
PubChem CID55288302
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Nameethyl (Z)-3-formamidoprop-2-enoate
SMILESCCOC(=O)/C=C\NC=O
InChIInChI=1S/C6H9NO3/c1-2-10-6(9)3-4-7-5-8/h3-5H,2H2,1H3,(H,7,8)/b4-3-
InChIKeyZVARUDKCXGGBAZ-ARJAWSKDSA-N
XLogP-0.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
ethyl 3-(2,2-dimethylhydrazinyl)prop-2-enoate
CID 143226823
ethyl 3-(ethoxyamino)prop-2-enoate;hydrochloride
CID 173062776
diethyl (Z)-but-2-enedioate;ethanol
CID 161113311
ethyl (Z)-3-(prop-2-enoylamino)prop-2-enoate
CID 71619731
ethyl (Z)-4-amino-4-oxobut-2-enoate
CID 87434500
diethyl (2E,5E)-4-oxohepta-2,5-dienedioate
CID 10922203
6-O-ethyl 1-O-methyl (2E,4E)-hexa-2,4-dienedioate
CID 87458458
ethyl (E)-but-2-enoate;methanamine
CID 88817268
diethyl but-2-enedioate;4-ethoxy-4-oxobut-2-enoic acid
CID 158661687
ethyl (Z)-pent-2-enoate
CID 11332473
4-ethoxy-4-oxobut-2-eneperoxoic acid
CID 54480920

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-formamidoprop-2-enoate?
The IUPAC name of ethyl (Z)-3-formamidoprop-2-enoate (CID 55288302) is ethyl (Z)-3-formamidoprop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-formamidoprop-2-enoate?
The canonical SMILES for ethyl (Z)-3-formamidoprop-2-enoate is CCOC(=O)/C=C\NC=O.
What is the InChIKey of ethyl (Z)-3-formamidoprop-2-enoate?
The InChIKey is ZVARUDKCXGGBAZ-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H9NO3/c1-2-10-6(9)3-4-7-5-8/h3-5H,2H2,1H3,(H,7,8)/b4-3-.
What are the key properties of ethyl (Z)-3-formamidoprop-2-enoate?
ethyl (Z)-3-formamidoprop-2-enoate has a molecular weight of 143.14 g/mol, XLogP of -0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-formamidoprop-2-enoate is sourced from PubChem (CID 55288302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).