tert-butyl 2-acetyl-5,6-dihydrofuro[3,2-b]pyrrole-4-carboxylate

C13H17NO4 — CID 82382571

IUPACtert-butyl 2-acetyl-5,6-dihydrofuro[3,2-b]pyrrole-4-carboxylate
SMILESCC(=O)c1cc2c(o1)CCN2C(=O)OC(C)(C)C
InChIInChI=1S/C13H17NO4/c1-8(15)11-7-9-10(17-11)5-6-14(9)12(16)18-13(2,3)4/h7H,5-6H2,1-4H3
InChIKeyWEHZXGNFBCRRSC-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.78
Rot. Bonds1

About tert-butyl 2-acetyl-5,6-dihydrofuro[3,2-b]pyrrole-4-carboxylate

tert-butyl 2-acetyl-5,6-dihydrofuro[3,2-b]pyrrole-4-carboxylate (PubChem CID 82382571) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is tert-butyl 2-acetyl-5,6-dihydrofuro[3,2-b]pyrrole-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-acetyl-5,6-dihydrofuro[3,2-b]pyrrole-4-carboxylate
PubChem CID82382571
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Nametert-butyl 2-acetyl-5,6-dihydrofuro[3,2-b]pyrrole-4-carboxylate
SMILESCC(=O)c1cc2c(o1)CCN2C(=O)OC(C)(C)C
InChIInChI=1S/C13H17NO4/c1-8(15)11-7-9-10(17-11)5-6-14(9)12(16)18-13(2,3)4/h7H,5-6H2,1-4H3
InChIKeyWEHZXGNFBCRRSC-UHFFFAOYSA-N
XLogP2.78
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate
CID 10657293
tert-butyl 7-bromo-4-oxo-2,3-dihydroquinoline-1-carboxylate
CID 57366378
4-[(2-methylpropan-2-yl)oxycarbonyl]-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxylic acid
CID 82379361
tert-butyl 5-(aminomethyl)-2,3-dihydroindole-1-carboxylate;hydrochloride
CID 178200769
tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate
CID 10514762
tert-butyl 6-amino-5-hydroxy-2,3-dihydroindole-1-carboxylate
CID 82382818
tert-butyl 6-amino-5-methyl-2,3-dihydroindole-1-carboxylate
CID 83212361
tert-butyl 6-acetamido-5-fluoro-2,3-dihydroindole-1-carboxylate
CID 59468798
tert-butyl 6-bromo-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
CID 121207730
tert-butyl 6-(oxetan-3-yl)-2,3-dihydroindole-1-carboxylate
CID 170628662
tert-butyl 5-(1-hydroxypropan-2-yl)-2,3-dihydroindole-1-carboxylate
CID 117444696
tert-butyl 6-fluoro-5-formyl-2,3-dihydroindole-1-carboxylate
CID 82624854

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-acetyl-5,6-dihydrofuro[3,2-b]pyrrole-4-carboxylate?
The IUPAC name of tert-butyl 2-acetyl-5,6-dihydrofuro[3,2-b]pyrrole-4-carboxylate (CID 82382571) is tert-butyl 2-acetyl-5,6-dihydrofuro[3,2-b]pyrrole-4-carboxylate.
What is the SMILES notation for tert-butyl 2-acetyl-5,6-dihydrofuro[3,2-b]pyrrole-4-carboxylate?
The canonical SMILES for tert-butyl 2-acetyl-5,6-dihydrofuro[3,2-b]pyrrole-4-carboxylate is CC(=O)c1cc2c(o1)CCN2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-acetyl-5,6-dihydrofuro[3,2-b]pyrrole-4-carboxylate?
The InChIKey is WEHZXGNFBCRRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-8(15)11-7-9-10(17-11)5-6-14(9)12(16)18-13(2,3)4/h7H,5-6H2,1-4H3.
What are the key properties of tert-butyl 2-acetyl-5,6-dihydrofuro[3,2-b]pyrrole-4-carboxylate?
tert-butyl 2-acetyl-5,6-dihydrofuro[3,2-b]pyrrole-4-carboxylate has a molecular weight of 251.28 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-acetyl-5,6-dihydrofuro[3,2-b]pyrrole-4-carboxylate is sourced from PubChem (CID 82382571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).