methyl 2-carbamoyloxybut-2-enoate

C6H9NO4 — CID 173435391

IUPACmethyl 2-carbamoyloxybut-2-enoate
SMILESCC=C(OC(N)=O)C(=O)OC
InChIInChI=1S/C6H9NO4/c1-3-4(5(8)10-2)11-6(7)9/h3H,1-2H3,(H2,7,9)
InChIKeyOCYNKSICLRSDRS-UHFFFAOYSA-N
MW159.14 g/mol
LogP0.16
Rot. Bonds2

About methyl 2-carbamoyloxybut-2-enoate

methyl 2-carbamoyloxybut-2-enoate (PubChem CID 173435391) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is methyl 2-carbamoyloxybut-2-enoate.

Molecular Properties

Compound Namemethyl 2-carbamoyloxybut-2-enoate
PubChem CID173435391
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Namemethyl 2-carbamoyloxybut-2-enoate
SMILESCC=C(OC(N)=O)C(=O)OC
InChIInChI=1S/C6H9NO4/c1-3-4(5(8)10-2)11-6(7)9/h3H,1-2H3,(H2,7,9)
InChIKeyOCYNKSICLRSDRS-UHFFFAOYSA-N
XLogP0.16
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 methyl 2-carbamoyloxybut-2-enoate?
The IUPAC name of methyl 2-carbamoyloxybut-2-enoate (CID 173435391) is methyl 2-carbamoyloxybut-2-enoate.
What is the SMILES notation for methyl 2-carbamoyloxybut-2-enoate?
The canonical SMILES for methyl 2-carbamoyloxybut-2-enoate is CC=C(OC(N)=O)C(=O)OC.
What is the InChIKey of methyl 2-carbamoyloxybut-2-enoate?
The InChIKey is OCYNKSICLRSDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c1-3-4(5(8)10-2)11-6(7)9/h3H,1-2H3,(H2,7,9).
What are the key properties of methyl 2-carbamoyloxybut-2-enoate?
methyl 2-carbamoyloxybut-2-enoate has a molecular weight of 159.14 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-carbamoyloxybut-2-enoate is sourced from PubChem (CID 173435391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).