5-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid;hydrochloride

C8H10ClNO2S — CID 122236295

IUPAC5-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid;hydrochloride
SMILESCN1Cc2cc(C(=O)O)sc2C1.Cl
InChIInChI=1S/C8H9NO2S.ClH/c1-9-3-5-2-6(8(10)11)12-7(5)4-9;/h2H,3-4H2,1H3,(H,10,11);1H
InChIKeyMQXXMWDNWCLPIL-UHFFFAOYSA-N
MW219.69 g/mol
LogP1.81
Rot. Bonds1

About 5-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid;hydrochloride

5-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid;hydrochloride (PubChem CID 122236295) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is 5-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid;hydrochloride
PubChem CID122236295
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC Name5-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid;hydrochloride
SMILESCN1Cc2cc(C(=O)O)sc2C1.Cl
InChIInChI=1S/C8H9NO2S.ClH/c1-9-3-5-2-6(8(10)11)12-7(5)4-9;/h2H,3-4H2,1H3,(H,10,11);1H
InChIKeyMQXXMWDNWCLPIL-UHFFFAOYSA-N
XLogP1.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,7,7-trimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxylic acid
CID 70791257
5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid
CID 82379362
5-cyclopentyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid
CID 83290816
5-(1-carboxyethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
CID 82369206
(Z)-1-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)prop-1-en-1-ol
CID 163583514
5-benzoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
CID 82369269
5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
CID 82369281
5-(4-methylbenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
CID 82369272
7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxylic acid
CID 53213896
5-(2,3-dihydroxypropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
CID 82369235
5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-carboxylic acid
CID 82397438
spiro[6,7-dihydro-4H-1-benzothiophene-5,1'-cyclopentane]-2-carboxylic acid
CID 114818755

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid;hydrochloride?
The IUPAC name of 5-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid;hydrochloride (CID 122236295) is 5-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid;hydrochloride?
The canonical SMILES for 5-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid;hydrochloride is CN1Cc2cc(C(=O)O)sc2C1.Cl.
What is the InChIKey of 5-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid;hydrochloride?
The InChIKey is MQXXMWDNWCLPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S.ClH/c1-9-3-5-2-6(8(10)11)12-7(5)4-9;/h2H,3-4H2,1H3,(H,10,11);1H.
What are the key properties of 5-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid;hydrochloride?
5-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid;hydrochloride has a molecular weight of 219.69 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 122236295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).