5-methylidene-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-b]pyrrole

C10H17NS — CID 158881410

IUPAC5-methylidene-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-b]pyrrole
SMILESC=C1CC2C(N1)SCC2C(C)C
InChIInChI=1S/C10H17NS/c1-6(2)9-5-12-10-8(9)4-7(3)11-10/h6,8-11H,3-5H2,1-2H3
InChIKeyJDBJLEPMZLEMDL-UHFFFAOYSA-N
MW183.32 g/mol
LogP2.45
Rot. Bonds1

About 5-methylidene-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-b]pyrrole

5-methylidene-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-b]pyrrole (PubChem CID 158881410) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 5-methylidene-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-b]pyrrole.

Molecular Properties

Compound Name5-methylidene-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-b]pyrrole
PubChem CID158881410
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name5-methylidene-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-b]pyrrole
SMILESC=C1CC2C(N1)SCC2C(C)C
InChIInChI=1S/C10H17NS/c1-6(2)9-5-12-10-8(9)4-7(3)11-10/h6,8-11H,3-5H2,1-2H3
InChIKeyJDBJLEPMZLEMDL-UHFFFAOYSA-N
XLogP2.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methylidene-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-b]pyrrole with MolForge

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Related Compounds

(3aR,6aS)-6-tert-butyl-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole
CID 59863945
6-Methyl-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole
CID 132264029
4-Tert-butyl-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole
CID 148648462
2-Methylidene-4-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole
CID 159277970
(3aS,4S,6aR)-4-methyl-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole;ethane
CID 160463751
(3aS,4S,6aR)-4-methyl-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole
CID 160463752
5-Methylidene-8-propan-2-yl-1,4-thiazocane
CID 158612051
(3aS,6aR)-2-methylidene-6-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole
CID 158691200
(3aS,6aR)-6-(5-methylhexyl)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole
CID 158691201

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-b]pyrrole?
The IUPAC name of 5-methylidene-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-b]pyrrole (CID 158881410) is 5-methylidene-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-b]pyrrole.
What is the SMILES notation for 5-methylidene-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-b]pyrrole?
The canonical SMILES for 5-methylidene-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-b]pyrrole is C=C1CC2C(N1)SCC2C(C)C.
What is the InChIKey of 5-methylidene-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-b]pyrrole?
The InChIKey is JDBJLEPMZLEMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-6(2)9-5-12-10-8(9)4-7(3)11-10/h6,8-11H,3-5H2,1-2H3.
What are the key properties of 5-methylidene-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-b]pyrrole?
5-methylidene-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-b]pyrrole has a molecular weight of 183.32 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-b]pyrrole is sourced from PubChem (CID 158881410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).