methyl 3-formamidoprop-2-enoate

C5H7NO3 — CID 57012581

IUPACmethyl 3-formamidoprop-2-enoate
SMILESCOC(=O)C=CNC=O
InChIInChI=1S/C5H7NO3/c1-9-5(8)2-3-6-4-7/h2-4H,1H3,(H,6,7)
InChIKeyZLMCRBAJZZJNCR-UHFFFAOYSA-N
MW129.11 g/mol
LogP-0.58
Rot. Bonds3

About methyl 3-formamidoprop-2-enoate

methyl 3-formamidoprop-2-enoate (PubChem CID 57012581) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is methyl 3-formamidoprop-2-enoate.

Molecular Properties

Compound Namemethyl 3-formamidoprop-2-enoate
PubChem CID57012581
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Namemethyl 3-formamidoprop-2-enoate
SMILESCOC(=O)C=CNC=O
InChIInChI=1S/C5H7NO3/c1-9-5(8)2-3-6-4-7/h2-4H,1H3,(H,6,7)
InChIKeyZLMCRBAJZZJNCR-UHFFFAOYSA-N
XLogP-0.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 5-0.58
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

ethyl (Z)-3-formamidoprop-2-enoate
CID 55288302
CID 160615105
CID 160615105
methyl (E)-3-(formyloxyamino)prop-2-enoate
CID 161072614
dimethyl octa-2,4,6-trienedioate
CID 5250542
methyl (E)-3-(ethoxyamino)prop-2-enoate
CID 103254517
but-2-enedioic acid;dimethyl but-2-enedioate
CID 160537834
methyl but-2-enoate;hydrochloride
CID 174681562
methanol;methyl 2-oxoacetate
CID 87864048
methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 11823692
methyl (E)-3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]prop-2-enoate
CID 106097408
methyl (E)-3-[(2-methyl-2-methylsulfanylpropyl)amino]prop-2-enoate
CID 103265361
dimethyl (2E,5E)-hepta-2,5-dienedioate
CID 23523209

Frequently Asked Questions

What is the IUPAC name of methyl 3-formamidoprop-2-enoate?
The IUPAC name of methyl 3-formamidoprop-2-enoate (CID 57012581) is methyl 3-formamidoprop-2-enoate.
What is the SMILES notation for methyl 3-formamidoprop-2-enoate?
The canonical SMILES for methyl 3-formamidoprop-2-enoate is COC(=O)C=CNC=O.
What is the InChIKey of methyl 3-formamidoprop-2-enoate?
The InChIKey is ZLMCRBAJZZJNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c1-9-5(8)2-3-6-4-7/h2-4H,1H3,(H,6,7).
What are the key properties of methyl 3-formamidoprop-2-enoate?
methyl 3-formamidoprop-2-enoate has a molecular weight of 129.11 g/mol, XLogP of -0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-formamidoprop-2-enoate is sourced from PubChem (CID 57012581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).