formamido but-2-enoate

C5H7NO3 — CID 141290762

IUPACformamido but-2-enoate
SMILESCC=CC(=O)ONC=O
InChIInChI=1S/C5H7NO3/c1-2-3-5(8)9-6-4-7/h2-4H,1H3,(H,6,7)
InChIKeyWIYAHGQDRJTSNO-UHFFFAOYSA-N
MW129.11 g/mol
LogP-0.23
Rot. Bonds3

About formamido but-2-enoate

formamido but-2-enoate (PubChem CID 141290762) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is formamido but-2-enoate.

Molecular Properties

Compound Nameformamido but-2-enoate
PubChem CID141290762
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Nameformamido but-2-enoate
SMILESCC=CC(=O)ONC=O
InChIInChI=1S/C5H7NO3/c1-2-3-5(8)9-6-4-7/h2-4H,1H3,(H,6,7)
InChIKeyWIYAHGQDRJTSNO-UHFFFAOYSA-N
XLogP-0.23
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 ≤ 5-0.23
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl but-2-enoate;hydrochloride
CID 174681562
(E)-but-2-enedioic acid;propylamino but-2-enoate
CID 175709551
S-[(E)-but-2-enoyl]sulfanyloxy but-2-enethioate
CID 174648085
sodium;formamido propanoate;hydride
CID 174830035
3-[(E)-but-2-enoyl]oxybutan-2-yl (E)-but-2-enoate
CID 101312230
hepta-2,5-dien-4-one
CID 54179619
[(E)-but-2-enoyl] 3-oxobutanoate
CID 87605905
1-hydroxyethenyl (E)-but-2-enoate
CID 141389203
ethyl (E)-but-2-enoate;methanamine
CID 88817268
formamido pentanoate
CID 88804872
1-sulfanylethyl but-2-enoate
CID 173263515
[3-[(Z)-but-2-enoyl]oxy-2-[[(Z)-but-2-enoyl]oxymethyl]propyl] (Z)-but-2-enoate
CID 101312278

Frequently Asked Questions

What is the IUPAC name of formamido but-2-enoate?
The IUPAC name of formamido but-2-enoate (CID 141290762) is formamido but-2-enoate.
What is the SMILES notation for formamido but-2-enoate?
The canonical SMILES for formamido but-2-enoate is CC=CC(=O)ONC=O.
What is the InChIKey of formamido but-2-enoate?
The InChIKey is WIYAHGQDRJTSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c1-2-3-5(8)9-6-4-7/h2-4H,1H3,(H,6,7).
What are the key properties of formamido but-2-enoate?
formamido but-2-enoate has a molecular weight of 129.11 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formamido but-2-enoate is sourced from PubChem (CID 141290762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).