tert-butyl 2-methoxy-5-oxo-2H-pyrrole-1-carboxylate

C10H15NO4 — CID 25258317

IUPACtert-butyl 2-methoxy-5-oxo-2H-pyrrole-1-carboxylate
SMILESCOC1C=CC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C10H15NO4/c1-10(2,3)15-9(13)11-7(12)5-6-8(11)14-4/h5-6,8H,1-4H3
InChIKeyOQKVLUXATAMEIR-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.29
Rot. Bonds1

About tert-butyl 2-methoxy-5-oxo-2H-pyrrole-1-carboxylate

tert-butyl 2-methoxy-5-oxo-2H-pyrrole-1-carboxylate (PubChem CID 25258317) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is tert-butyl 2-methoxy-5-oxo-2H-pyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methoxy-5-oxo-2H-pyrrole-1-carboxylate
PubChem CID25258317
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Nametert-butyl 2-methoxy-5-oxo-2H-pyrrole-1-carboxylate
SMILESCOC1C=CC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C10H15NO4/c1-10(2,3)15-9(13)11-7(12)5-6-8(11)14-4/h5-6,8H,1-4H3
InChIKeyOQKVLUXATAMEIR-UHFFFAOYSA-N
XLogP1.29
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-methoxy-5-oxo-2H-pyrrole-1-carboxylate 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

tert-Butyl 2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate
CID 11435337
(2R)-1-acetyl-2-propan-2-yloxy-2H-pyrrol-5-one
CID 11769192
tert-butyl 2-hydroxy-5-oxo-2H-pyrrole-1-carboxylate
CID 25258316
5-Acetoxy-1-acetyl-3-pyrrolin-2-one
CID 11019519
1-Acetyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl acetate
CID 10932080
(1-methyl-5-oxo-2H-pyrrol-2-yl) acetate
CID 14024675
(5-oxo-1-propanoyl-2H-pyrrol-2-yl) propanoate
CID 101012162
(5-oxo-1-propanoyl-2H-pyrrol-2-yl) acetate
CID 101012164
(1-acetyl-5-oxo-2H-pyrrol-2-yl) propanoate
CID 101012166
1-acetyl-2-propan-2-yloxy-2H-pyrrol-5-one
CID 17916203
1-[1-(2-Methylprop-2-enoxy)ethyl]pyrrole-2,5-dione
CID 18324120
(2,5-Dioxopyrrol-1-yl)methyl 2-methylprop-2-enoate
CID 19762154

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methoxy-5-oxo-2H-pyrrole-1-carboxylate?
The IUPAC name of tert-butyl 2-methoxy-5-oxo-2H-pyrrole-1-carboxylate (CID 25258317) is tert-butyl 2-methoxy-5-oxo-2H-pyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methoxy-5-oxo-2H-pyrrole-1-carboxylate?
The canonical SMILES for tert-butyl 2-methoxy-5-oxo-2H-pyrrole-1-carboxylate is COC1C=CC(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methoxy-5-oxo-2H-pyrrole-1-carboxylate?
The InChIKey is OQKVLUXATAMEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-10(2,3)15-9(13)11-7(12)5-6-8(11)14-4/h5-6,8H,1-4H3.
What are the key properties of tert-butyl 2-methoxy-5-oxo-2H-pyrrole-1-carboxylate?
tert-butyl 2-methoxy-5-oxo-2H-pyrrole-1-carboxylate has a molecular weight of 213.23 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methoxy-5-oxo-2H-pyrrole-1-carboxylate is sourced from PubChem (CID 25258317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).