3-cyano-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid

C8H6N2O2S — CID 67803591

IUPAC3-cyano-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid
SMILESN#Cc1scc2c1CN(C(=O)O)C2
InChIInChI=1S/C8H6N2O2S/c9-1-7-6-3-10(8(11)12)2-5(6)4-13-7/h4H,2-3H2,(H,11,12)
InChIKeyYCNRZUOSOFDMHF-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.61
Rot. Bonds

About 3-cyano-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid

3-cyano-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid (PubChem CID 67803591) has the molecular formula C8H6N2O2S and a molecular weight of 194.22 g/mol. Its IUPAC name is 3-cyano-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name3-cyano-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid
PubChem CID67803591
Molecular FormulaC8H6N2O2S
Molecular Weight194.22 g/mol
Exact Mass194.01
IUPAC Name3-cyano-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid
SMILESN#Cc1scc2c1CN(C(=O)O)C2
InChIInChI=1S/C8H6N2O2S/c9-1-7-6-3-10(8(11)12)2-5(6)4-13-7/h4H,2-3H2,(H,11,12)
InChIKeyYCNRZUOSOFDMHF-UHFFFAOYSA-N
XLogP1.61
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[(4-cyanothiophen-2-yl)methyl]carbamic acid
CID 69283780
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-cyano-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate
CID 139679529
Tert-butyl 2-cyano-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate
CID 156873757
3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid
CID 160589274
4,6-Dihydrothieno[2,3-c]pyrrole-5-carboxylic acid
CID 176291088

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid?
The IUPAC name of 3-cyano-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid (CID 67803591) is 3-cyano-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid.
What is the SMILES notation for 3-cyano-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid?
The canonical SMILES for 3-cyano-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid is N#Cc1scc2c1CN(C(=O)O)C2.
What is the InChIKey of 3-cyano-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid?
The InChIKey is YCNRZUOSOFDMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S/c9-1-7-6-3-10(8(11)12)2-5(6)4-13-7/h4H,2-3H2,(H,11,12).
What are the key properties of 3-cyano-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid?
3-cyano-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid has a molecular weight of 194.22 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid is sourced from PubChem (CID 67803591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).