tert-butyl 3-(1-methylcyclopropyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate

C15H21NO2S — CID 139679532

IUPACtert-butyl 3-(1-methylcyclopropyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2csc(C3(C)CC3)c2C1
InChIInChI=1S/C15H21NO2S/c1-14(2,3)18-13(17)16-7-10-9-19-12(11(10)8-16)15(4)5-6-15/h9H,5-8H2,1-4H3
InChIKeyXIYNMUOZAMQIFE-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.05
Rot. Bonds1

About tert-butyl 3-(1-methylcyclopropyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate

tert-butyl 3-(1-methylcyclopropyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate (PubChem CID 139679532) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is tert-butyl 3-(1-methylcyclopropyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-methylcyclopropyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate
PubChem CID139679532
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Nametert-butyl 3-(1-methylcyclopropyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2csc(C3(C)CC3)c2C1
InChIInChI=1S/C15H21NO2S/c1-14(2,3)18-13(17)16-7-10-9-19-12(11(10)8-16)15(4)5-6-15/h9H,5-8H2,1-4H3
InChIKeyXIYNMUOZAMQIFE-UHFFFAOYSA-N
XLogP4.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-(1-methylcyclopropyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate with MolForge

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Related Compounds

tert-Butyl 2-(aminomethyl)-4H-thieno[2,3-c]pyrrole-5(6H)-carboxylate
CID 155897007
1-(1-Methylethyl)-5-(1,1-dimethylethoxy)carbonyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole
CID 18947058
1-(1-Propen-2-yl)-5-(1,1-dimethylethoxy)carbonyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole
CID 18947070
3-(1-Methylcyclopropyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid
CID 67804013
3-Prop-1-en-2-yl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid
CID 67804043
Tert-butyl 3-acetyl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate
CID 82379616
Tert-butyl 3-(3,4-dimethylthiophen-2-yl)-2,5-dihydropyrrole-1-carboxylate
CID 121276181
Tert-butyl 3-(3,4-dimethylthiophen-2-yl)pyrrolidine-1-carboxylate
CID 121276182
Tert-butyl 3-cyano-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate
CID 139679529
Tert-butyl 3-(hydroxyiminomethyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate
CID 139679530
5-Boc-5,6-dihydro-4H-thieno[2,3-c]pyrrole
CID 141432076
Tert-butyl 6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate
CID 146657601

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-methylcyclopropyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate?
The IUPAC name of tert-butyl 3-(1-methylcyclopropyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate (CID 139679532) is tert-butyl 3-(1-methylcyclopropyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-methylcyclopropyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate?
The canonical SMILES for tert-butyl 3-(1-methylcyclopropyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate is CC(C)(C)OC(=O)N1Cc2csc(C3(C)CC3)c2C1.
What is the InChIKey of tert-butyl 3-(1-methylcyclopropyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate?
The InChIKey is XIYNMUOZAMQIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-14(2,3)18-13(17)16-7-10-9-19-12(11(10)8-16)15(4)5-6-15/h9H,5-8H2,1-4H3.
What are the key properties of tert-butyl 3-(1-methylcyclopropyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate?
tert-butyl 3-(1-methylcyclopropyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate has a molecular weight of 279.40 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-methylcyclopropyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate is sourced from PubChem (CID 139679532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).