5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid

C10H13NO2S — CID 83290505

IUPAC5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid
SMILESCC(C)N1Cc2cc(C(=O)O)sc2C1
InChIInChI=1S/C10H13NO2S/c1-6(2)11-4-7-3-8(10(12)13)14-9(7)5-11/h3,6H,4-5H2,1-2H3,(H,12,13)
InChIKeyBEGYOGVGUZNINM-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.17
Rot. Bonds2

About 5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid

5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid (PubChem CID 83290505) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid
PubChem CID83290505
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid
SMILESCC(C)N1Cc2cc(C(=O)O)sc2C1
InChIInChI=1S/C10H13NO2S/c1-6(2)11-4-7-3-8(10(12)13)14-9(7)5-11/h3,6H,4-5H2,1-2H3,(H,12,13)
InChIKeyBEGYOGVGUZNINM-UHFFFAOYSA-N
XLogP2.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(tert-butoxy)carbonyl]-4H,5H,6H-thieno[2,3-c]pyrrole-2-carboxylic acid
CID 82379362
5-cyclopentyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxylic acid
CID 83290816
6-Methyl-4,5,6,7-tetrahydrothieno[2,3-C]pyridine-2-carboxylic acid hydroc+
CID 91666213
5-[(Dimethylamino)methyl]-2-thiophenecarboxylic acid
CID 4261499
Ethyl 5-benzyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylate
CID 13633464
Methyl 5-[(4-fluorophenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylate
CID 3427812
(2R)-1-(4-ethyl-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922097
5-Methyl-4-[[3-(oxolan-2-yl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid
CID 136550788
5-[[(2S)-4,4-difluoro-2-methylpiperidin-1-yl]methyl]thiophene-3-carboxylic acid
CID 164630855
6-methyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-2-carboxylic acid
CID 17842502
(2S,4R)-2-(4-Carboxy-5-methylthiophen-2-yl)-4-fluoropyrrolidine-1-carboxylic acid t-butyl ester
CID 67292113
5-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-methylthiophene-3-carboxylic acid
CID 67506220

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid?
The IUPAC name of 5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid (CID 83290505) is 5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid?
The canonical SMILES for 5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid is CC(C)N1Cc2cc(C(=O)O)sc2C1.
What is the InChIKey of 5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid?
The InChIKey is BEGYOGVGUZNINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-6(2)11-4-7-3-8(10(12)13)14-9(7)5-11/h3,6H,4-5H2,1-2H3,(H,12,13).
What are the key properties of 5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid?
5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid has a molecular weight of 211.29 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid is sourced from PubChem (CID 83290505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).