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

C6H7NS — CID 23543629

IUPAC5,6-dihydro-4H-thieno[2,3-b]pyrrole
SMILESc1cc2c(s1)NCC2
InChIInChI=1S/C6H7NS/c1-3-7-6-5(1)2-4-8-6/h2,4,7H,1,3H2
InChIKeyBOMRMZLDRKYVKF-UHFFFAOYSA-N
MW125.20 g/mol
LogP1.72
Rot. Bonds

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

5,6-dihydro-4H-thieno[2,3-b]pyrrole (PubChem CID 23543629) has the molecular formula C6H7NS and a molecular weight of 125.20 g/mol. Its IUPAC name is 5,6-dihydro-4H-thieno[2,3-b]pyrrole.

Molecular Properties

Compound Name5,6-dihydro-4H-thieno[2,3-b]pyrrole
PubChem CID23543629
Molecular FormulaC6H7NS
Molecular Weight125.20 g/mol
Exact Mass125.03
IUPAC Name5,6-dihydro-4H-thieno[2,3-b]pyrrole
SMILESc1cc2c(s1)NCC2
InChIInChI=1S/C6H7NS/c1-3-7-6-5(1)2-4-8-6/h2,4,7H,1,3H2
InChIKeyBOMRMZLDRKYVKF-UHFFFAOYSA-N
XLogP1.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.20
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,7-Dihydrothieno[2,3-b]pyridine
CID 18672008
4,5,6,7-Tetrahydrothieno[2,3-b]pyridine
CID 20712120
6-Methyl-4,5-dihydrothieno[2,3-b]pyrrole
CID 59129717
5-propan-2-yl-5,6-dihydro-4H-thieno[2,3-b]pyrrole
CID 60123187
7H-thieno[2,3-b]pyridine-4-thione
CID 68711930
4,5,6,7-Tetrahydrothieno[3,2-e]pyridine hydrochloride
CID 73012682
2-methyl-5,6-dihydro-4H-thieno[2,3-b]pyrrole
CID 96637309
6-Iodo-5-methyl-4,5-dihydrothieno[2,3-b]pyrrol-4-amine
CID 156354269
3-tert-butyl-5,6-dihydro-4H-thieno[2,3-b]pyrrole
CID 171466097
N'-(3-ethylthiophen-2-yl)-N-propylethane-1,2-diamine
CID 175047866
1'-Methylspiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-piperidine]
CID 96615704
2-bromo-5,6-dihydro-4H-thieno[2,3-b]pyrrole
CID 96618759

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-thieno[2,3-b]pyrrole?
The IUPAC name of 5,6-dihydro-4H-thieno[2,3-b]pyrrole (CID 23543629) is 5,6-dihydro-4H-thieno[2,3-b]pyrrole.
What is the SMILES notation for 5,6-dihydro-4H-thieno[2,3-b]pyrrole?
The canonical SMILES for 5,6-dihydro-4H-thieno[2,3-b]pyrrole is c1cc2c(s1)NCC2.
What is the InChIKey of 5,6-dihydro-4H-thieno[2,3-b]pyrrole?
The InChIKey is BOMRMZLDRKYVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NS/c1-3-7-6-5(1)2-4-8-6/h2,4,7H,1,3H2.
What are the key properties of 5,6-dihydro-4H-thieno[2,3-b]pyrrole?
5,6-dihydro-4H-thieno[2,3-b]pyrrole has a molecular weight of 125.20 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-thieno[2,3-b]pyrrole is sourced from PubChem (CID 23543629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).