tert-butyl 2-oxo-6,6a-dihydro-4H-furo[2,3-c]pyrrole-5-carboxylate

C11H15NO4 — CID 102588517

IUPACtert-butyl 2-oxo-6,6a-dihydro-4H-furo[2,3-c]pyrrole-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2=CC(=O)OC2C1
InChIInChI=1S/C11H15NO4/c1-11(2,3)16-10(14)12-5-7-4-9(13)15-8(7)6-12/h4,8H,5-6H2,1-3H3
InChIKeyQYWGQNHTTCUWPH-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.09
Rot. Bonds

About tert-butyl 2-oxo-6,6a-dihydro-4H-furo[2,3-c]pyrrole-5-carboxylate

tert-butyl 2-oxo-6,6a-dihydro-4H-furo[2,3-c]pyrrole-5-carboxylate (PubChem CID 102588517) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is tert-butyl 2-oxo-6,6a-dihydro-4H-furo[2,3-c]pyrrole-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-oxo-6,6a-dihydro-4H-furo[2,3-c]pyrrole-5-carboxylate
PubChem CID102588517
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Nametert-butyl 2-oxo-6,6a-dihydro-4H-furo[2,3-c]pyrrole-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2=CC(=O)OC2C1
InChIInChI=1S/C11H15NO4/c1-11(2,3)16-10(14)12-5-7-4-9(13)15-8(7)6-12/h4,8H,5-6H2,1-3H3
InChIKeyQYWGQNHTTCUWPH-UHFFFAOYSA-N
XLogP1.09
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-oxo-6,6a-dihydro-4H-furo[2,3-c]pyrrole-5-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 (6R,6aR)-6-[(S)-tert-butylsulfinyl]-5-oxo-1,3,6,6a-tetrahydrocyclopenta[c]pyrrole-2-carboxylate
CID 11056522
tert-butyl 3-fluoro-4-oxopyrrolidine-1-carboxylate
CID 45158916
tert-butyl (3S)-3-methyl-5-oxopiperidine-1-carboxylate
CID 119081421
tert-butyl (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 54062816
tert-butyl (1S,5S)-8-oxo-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 74788389
tert-butyl 2-(2-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 86709471
tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate;ethane
CID 164877477
tert-butyl 5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
CID 112547151
tert-butyl 8-hydroxy-1-methyl-2,3,5,7,8,8a-hexahydro-1,6-naphthyridine-6-carboxylate
CID 163245880
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
tert-butyl 3-oxo-5-(trifluoromethyl)piperidine-1-carboxylate
CID 162422265

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-oxo-6,6a-dihydro-4H-furo[2,3-c]pyrrole-5-carboxylate?
The IUPAC name of tert-butyl 2-oxo-6,6a-dihydro-4H-furo[2,3-c]pyrrole-5-carboxylate (CID 102588517) is tert-butyl 2-oxo-6,6a-dihydro-4H-furo[2,3-c]pyrrole-5-carboxylate.
What is the SMILES notation for tert-butyl 2-oxo-6,6a-dihydro-4H-furo[2,3-c]pyrrole-5-carboxylate?
The canonical SMILES for tert-butyl 2-oxo-6,6a-dihydro-4H-furo[2,3-c]pyrrole-5-carboxylate is CC(C)(C)OC(=O)N1CC2=CC(=O)OC2C1.
What is the InChIKey of tert-butyl 2-oxo-6,6a-dihydro-4H-furo[2,3-c]pyrrole-5-carboxylate?
The InChIKey is QYWGQNHTTCUWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-11(2,3)16-10(14)12-5-7-4-9(13)15-8(7)6-12/h4,8H,5-6H2,1-3H3.
What are the key properties of tert-butyl 2-oxo-6,6a-dihydro-4H-furo[2,3-c]pyrrole-5-carboxylate?
tert-butyl 2-oxo-6,6a-dihydro-4H-furo[2,3-c]pyrrole-5-carboxylate has a molecular weight of 225.24 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-oxo-6,6a-dihydro-4H-furo[2,3-c]pyrrole-5-carboxylate is sourced from PubChem (CID 102588517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).