5,6-dihydro-4H-thieno[3,4-c]pyrrole-3-carbonitrile

C7H6N2S — CID 15284967

IUPAC5,6-dihydro-4H-thieno[3,4-c]pyrrole-3-carbonitrile
SMILESN#Cc1scc2c1CNC2
InChIInChI=1S/C7H6N2S/c8-1-7-6-3-9-2-5(6)4-10-7/h4,9H,2-3H2
InChIKeyBCDSSFGHKUVORJ-UHFFFAOYSA-N
MW150.21 g/mol
LogP1.22
Rot. Bonds

About 5,6-dihydro-4H-thieno[3,4-c]pyrrole-3-carbonitrile

5,6-dihydro-4H-thieno[3,4-c]pyrrole-3-carbonitrile (PubChem CID 15284967) has the molecular formula C7H6N2S and a molecular weight of 150.21 g/mol. Its IUPAC name is 5,6-dihydro-4H-thieno[3,4-c]pyrrole-3-carbonitrile.

Molecular Properties

Compound Name5,6-dihydro-4H-thieno[3,4-c]pyrrole-3-carbonitrile
PubChem CID15284967
Molecular FormulaC7H6N2S
Molecular Weight150.21 g/mol
Exact Mass150.03
IUPAC Name5,6-dihydro-4H-thieno[3,4-c]pyrrole-3-carbonitrile
SMILESN#Cc1scc2c1CNC2
InChIInChI=1S/C7H6N2S/c8-1-7-6-3-9-2-5(6)4-10-7/h4,9H,2-3H2
InChIKeyBCDSSFGHKUVORJ-UHFFFAOYSA-N
XLogP1.22
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 53691969
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CID 18947035
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CID 18947036
CID 18947036
CID 18947038
CID 18947038
CID 18947039
CID 18947039
CID 18947043
CID 18947043
CID 54301351
CID 54301351
CID 60081313
CID 60081313
CID 60081324
CID 60081324
CID 123333734
CID 123333734
CID 176110839
CID 176110839
CID 71743930
CID 71743930

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-thieno[3,4-c]pyrrole-3-carbonitrile?
The IUPAC name of 5,6-dihydro-4H-thieno[3,4-c]pyrrole-3-carbonitrile (CID 15284967) is 5,6-dihydro-4H-thieno[3,4-c]pyrrole-3-carbonitrile.
What is the SMILES notation for 5,6-dihydro-4H-thieno[3,4-c]pyrrole-3-carbonitrile?
The canonical SMILES for 5,6-dihydro-4H-thieno[3,4-c]pyrrole-3-carbonitrile is N#Cc1scc2c1CNC2.
What is the InChIKey of 5,6-dihydro-4H-thieno[3,4-c]pyrrole-3-carbonitrile?
The InChIKey is BCDSSFGHKUVORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S/c8-1-7-6-3-9-2-5(6)4-10-7/h4,9H,2-3H2.
What are the key properties of 5,6-dihydro-4H-thieno[3,4-c]pyrrole-3-carbonitrile?
5,6-dihydro-4H-thieno[3,4-c]pyrrole-3-carbonitrile has a molecular weight of 150.21 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-thieno[3,4-c]pyrrole-3-carbonitrile is sourced from PubChem (CID 15284967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).