3-(1-methylcyclopropyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid

C11H13NO2S — CID 67804013

IUPAC3-(1-methylcyclopropyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid
SMILESCC1(c2scc3c2CN(C(=O)O)C3)CC1
InChIInChI=1S/C11H13NO2S/c1-11(2-3-11)9-8-5-12(10(13)14)4-7(8)6-15-9/h6H,2-5H2,1H3,(H,13,14)
InChIKeyGYEVWJMCFVZJAY-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.79
Rot. Bonds1

About 3-(1-methylcyclopropyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid

3-(1-methylcyclopropyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid (PubChem CID 67804013) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 3-(1-methylcyclopropyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1-methylcyclopropyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid
PubChem CID67804013
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name3-(1-methylcyclopropyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid
SMILESCC1(c2scc3c2CN(C(=O)O)C3)CC1
InChIInChI=1S/C11H13NO2S/c1-11(2-3-11)9-8-5-12(10(13)14)4-7(8)6-15-9/h6H,2-5H2,1H3,(H,13,14)
InChIKeyGYEVWJMCFVZJAY-UHFFFAOYSA-N
XLogP2.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-methylcyclopropyl)-5,6-dihydro-4H-thieno[3,4-c]pyrrole
CID 15284968
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-Cyano-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid
CID 67803591
3-Prop-1-en-2-yl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid
CID 67804043
3-[(Z)-hydroxyiminomethyl]-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid
CID 88432199
3-(Hydroxyiminomethyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid
CID 88432200
Tert-butyl 3-(1-methylcyclopropyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate
CID 139679532
spiro[4H-thieno[2,3-c]pyrrole-6,1'-cyclopropane]-5-carboxylic acid
CID 176011662

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylcyclopropyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid?
The IUPAC name of 3-(1-methylcyclopropyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid (CID 67804013) is 3-(1-methylcyclopropyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid.
What is the SMILES notation for 3-(1-methylcyclopropyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid?
The canonical SMILES for 3-(1-methylcyclopropyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid is CC1(c2scc3c2CN(C(=O)O)C3)CC1.
What is the InChIKey of 3-(1-methylcyclopropyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid?
The InChIKey is GYEVWJMCFVZJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-11(2-3-11)9-8-5-12(10(13)14)4-7(8)6-15-9/h6H,2-5H2,1H3,(H,13,14).
What are the key properties of 3-(1-methylcyclopropyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid?
3-(1-methylcyclopropyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid has a molecular weight of 223.30 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylcyclopropyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid is sourced from PubChem (CID 67804013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).