(Z)-2-methoxybut-2-enamide

C5H9NO2 — CID 55291471

IUPAC(Z)-2-methoxybut-2-enamide
SMILESC/C=C(\OC)C(N)=O
InChIInChI=1S/C5H9NO2/c1-3-4(8-2)5(6)7/h3H,1-2H3,(H2,6,7)/b4-3-
InChIKeyHEGGAHREKDNAHZ-ARJAWSKDSA-N
MW115.13 g/mol
LogP0.02
Rot. Bonds2

About (Z)-2-methoxybut-2-enamide

(Z)-2-methoxybut-2-enamide (PubChem CID 55291471) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (Z)-2-methoxybut-2-enamide.

Molecular Properties

Compound Name(Z)-2-methoxybut-2-enamide
PubChem CID55291471
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(Z)-2-methoxybut-2-enamide
SMILESC/C=C(\OC)C(N)=O
InChIInChI=1S/C5H9NO2/c1-3-4(8-2)5(6)7/h3H,1-2H3,(H2,6,7)/b4-3-
InChIKeyHEGGAHREKDNAHZ-ARJAWSKDSA-N
XLogP0.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-methoxybut-2-enamide?
The IUPAC name of (Z)-2-methoxybut-2-enamide (CID 55291471) is (Z)-2-methoxybut-2-enamide.
What is the SMILES notation for (Z)-2-methoxybut-2-enamide?
The canonical SMILES for (Z)-2-methoxybut-2-enamide is C/C=C(\OC)C(N)=O.
What is the InChIKey of (Z)-2-methoxybut-2-enamide?
The InChIKey is HEGGAHREKDNAHZ-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H9NO2/c1-3-4(8-2)5(6)7/h3H,1-2H3,(H2,6,7)/b4-3-.
What are the key properties of (Z)-2-methoxybut-2-enamide?
(Z)-2-methoxybut-2-enamide has a molecular weight of 115.13 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methoxybut-2-enamide is sourced from PubChem (CID 55291471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).