3-cyclopropyl-6-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid

C11H11NO2S — CID 70681839

IUPAC3-cyclopropyl-6-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
SMILESCc1c(C(=O)O)[nH]c2c(C3CC3)csc12
InChIInChI=1S/C11H11NO2S/c1-5-8(11(13)14)12-9-7(6-2-3-6)4-15-10(5)9/h4,6,12H,2-3H2,1H3,(H,13,14)
InChIKeyFMVDSUJWEDWDQD-UHFFFAOYSA-N
MW221.28 g/mol
LogP3.11
Rot. Bonds2

About 3-cyclopropyl-6-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid

3-cyclopropyl-6-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid (PubChem CID 70681839) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 3-cyclopropyl-6-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-6-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
PubChem CID70681839
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name3-cyclopropyl-6-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
SMILESCc1c(C(=O)O)[nH]c2c(C3CC3)csc12
InChIInChI=1S/C11H11NO2S/c1-5-8(11(13)14)12-9-7(6-2-3-6)4-15-10(5)9/h4,6,12H,2-3H2,1H3,(H,13,14)
InChIKeyFMVDSUJWEDWDQD-UHFFFAOYSA-N
XLogP3.11
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4H-thieno(3,2-b)pyrrole-5-carboxylic acid
CID 4961254
6-methyl-3-pyridin-3-yl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
CID 66561793
3-(4-fluorophenyl)-5-(2-thienyl)-1H-pyrrole-2-carboxylic acid
CID 67078793
2-methyl-4H-thieno(3,2-b)pyrrole-5-carboxylic acid
CID 8027613
3-cyano-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
CID 44576688
3-Bromo-4,6-dimethylthieno[3,2-b]pyrrole-5-carboxylic acid
CID 70690213
6-formyl-2-methyl-4H-thieno(3,2-b)pyrrole-5-carboxylic acid
CID 3769666
3-methyl-4H-thieno(3,2-b)pyrrole-5-carboxylic acid
CID 22556504
3-bromo-6-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
CID 70692387
3-(methoxycarbonyl)-4H-thieno(3,2-b)pyrrole-5-carboxylic acid
CID 138007929
3-(methoxycarbonyl)-2-methyl-4H-thieno(3,2-b)pyrrole-5-carboxylic acid
CID 139022688
2-Methyl-3-[(piperidin-1-YL)methyl]-4H-thieno[3,2-B]pyrrole-5-carboxylic acid
CID 90488085

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid?
The IUPAC name of 3-cyclopropyl-6-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid (CID 70681839) is 3-cyclopropyl-6-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-6-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-6-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid is Cc1c(C(=O)O)[nH]c2c(C3CC3)csc12.
What is the InChIKey of 3-cyclopropyl-6-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid?
The InChIKey is FMVDSUJWEDWDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-5-8(11(13)14)12-9-7(6-2-3-6)4-15-10(5)9/h4,6,12H,2-3H2,1H3,(H,13,14).
What are the key properties of 3-cyclopropyl-6-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid?
3-cyclopropyl-6-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid has a molecular weight of 221.28 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid is sourced from PubChem (CID 70681839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).