ethyl 2-formamidopent-4-enoate

C8H13NO3 — CID 566989

IUPACethyl 2-formamidopent-4-enoate
SMILESC=CCC(NC=O)C(=O)OCC
InChIInChI=1S/C8H13NO3/c1-3-5-7(9-6-10)8(11)12-4-2/h3,6-7H,1,4-5H2,2H3,(H,9,10)
InChIKeyJNJKTVFMXYHIRX-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.24
Rot. Bonds6

About ethyl 2-formamidopent-4-enoate

ethyl 2-formamidopent-4-enoate (PubChem CID 566989) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is ethyl 2-formamidopent-4-enoate.

Molecular Properties

Compound Nameethyl 2-formamidopent-4-enoate
PubChem CID566989
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Nameethyl 2-formamidopent-4-enoate
SMILESC=CCC(NC=O)C(=O)OCC
InChIInChI=1S/C8H13NO3/c1-3-5-7(9-6-10)8(11)12-4-2/h3,6-7H,1,4-5H2,2H3,(H,9,10)
InChIKeyJNJKTVFMXYHIRX-UHFFFAOYSA-N
XLogP0.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-formamidopent-4-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 2-acetamidohex-5-enoate
CID 15391267
methyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]pent-4-enoate
CID 135006947
ethyl (E)-2-acetamido-5-iodopent-4-enoate
CID 10870635
ethyl (E)-2-acetamido-5-tributylstannylpent-4-enoate
CID 11038074
Ethyl 2-acetamido-4-iodopent-4-enoate
CID 15182780
Methyl N-methoxycarbonyl-2-amino-4-pentenoate
CID 11074136
methyl (E,2S)-2-acetamidohex-4-enoate
CID 11286876
Ethyl 2-{[(tert-butoxy)carbonyl]amino}pent-4-enoate
CID 11311085
Methyl 2-acetamidohex-4-enoate
CID 72784776
l-Allylglycine, N-trifluoroacetyl-, ethyl ester
CID 13448017
l-Allylglycine, N-trifluoroacetyl-, propyl ester
CID 91724229
d-Allylglycine, N-trifluoroacetyl-, isobutyl ester
CID 91724234

Frequently Asked Questions

What is the IUPAC name of ethyl 2-formamidopent-4-enoate?
The IUPAC name of ethyl 2-formamidopent-4-enoate (CID 566989) is ethyl 2-formamidopent-4-enoate.
What is the SMILES notation for ethyl 2-formamidopent-4-enoate?
The canonical SMILES for ethyl 2-formamidopent-4-enoate is C=CCC(NC=O)C(=O)OCC.
What is the InChIKey of ethyl 2-formamidopent-4-enoate?
The InChIKey is JNJKTVFMXYHIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-3-5-7(9-6-10)8(11)12-4-2/h3,6-7H,1,4-5H2,2H3,(H,9,10).
What are the key properties of ethyl 2-formamidopent-4-enoate?
ethyl 2-formamidopent-4-enoate has a molecular weight of 171.20 g/mol, XLogP of 0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-formamidopent-4-enoate is sourced from PubChem (CID 566989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).