2-methyl-5,6-dihydro-4H-thieno[2,3-b]pyrrole

C7H9NS — CID 96637309

IUPAC2-methyl-5,6-dihydro-4H-thieno[2,3-b]pyrrole
SMILESCc1cc2c(s1)NCC2
InChIInChI=1S/C7H9NS/c1-5-4-6-2-3-8-7(6)9-5/h4,8H,2-3H2,1H3
InChIKeyXJCODVFURGJAEK-UHFFFAOYSA-N
MW139.22 g/mol
LogP2.02
Rot. Bonds

About 2-methyl-5,6-dihydro-4H-thieno[2,3-b]pyrrole

2-methyl-5,6-dihydro-4H-thieno[2,3-b]pyrrole (PubChem CID 96637309) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is 2-methyl-5,6-dihydro-4H-thieno[2,3-b]pyrrole.

Molecular Properties

Compound Name2-methyl-5,6-dihydro-4H-thieno[2,3-b]pyrrole
PubChem CID96637309
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Name2-methyl-5,6-dihydro-4H-thieno[2,3-b]pyrrole
SMILESCc1cc2c(s1)NCC2
InChIInChI=1S/C7H9NS/c1-5-4-6-2-3-8-7(6)9-5/h4,8H,2-3H2,1H3
InChIKeyXJCODVFURGJAEK-UHFFFAOYSA-N
XLogP2.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6-dihydro-4H-thieno[2,3-b]pyrrole?
The IUPAC name of 2-methyl-5,6-dihydro-4H-thieno[2,3-b]pyrrole (CID 96637309) is 2-methyl-5,6-dihydro-4H-thieno[2,3-b]pyrrole.
What is the SMILES notation for 2-methyl-5,6-dihydro-4H-thieno[2,3-b]pyrrole?
The canonical SMILES for 2-methyl-5,6-dihydro-4H-thieno[2,3-b]pyrrole is Cc1cc2c(s1)NCC2.
What is the InChIKey of 2-methyl-5,6-dihydro-4H-thieno[2,3-b]pyrrole?
The InChIKey is XJCODVFURGJAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS/c1-5-4-6-2-3-8-7(6)9-5/h4,8H,2-3H2,1H3.
What are the key properties of 2-methyl-5,6-dihydro-4H-thieno[2,3-b]pyrrole?
2-methyl-5,6-dihydro-4H-thieno[2,3-b]pyrrole has a molecular weight of 139.22 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6-dihydro-4H-thieno[2,3-b]pyrrole is sourced from PubChem (CID 96637309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).