4-tert-butyl-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole

C11H19NS — CID 148648462

IUPAC4-tert-butyl-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole
SMILESC=C1CC2C(CSC2C(C)(C)C)N1
InChIInChI=1S/C11H19NS/c1-7-5-8-9(12-7)6-13-10(8)11(2,3)4/h8-10,12H,1,5-6H2,2-4H3
InChIKeyNLLCPEFVSDKEKI-UHFFFAOYSA-N
MW197.35 g/mol
LogP2.64
Rot. Bonds

About 4-tert-butyl-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole

4-tert-butyl-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole (PubChem CID 148648462) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is 4-tert-butyl-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole.

Molecular Properties

Compound Name4-tert-butyl-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole
PubChem CID148648462
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name4-tert-butyl-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole
SMILESC=C1CC2C(CSC2C(C)(C)C)N1
InChIInChI=1S/C11H19NS/c1-7-5-8-9(12-7)6-13-10(8)11(2,3)4/h8-10,12H,1,5-6H2,2-4H3
InChIKeyNLLCPEFVSDKEKI-UHFFFAOYSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-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
5-Methylidene-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-b]pyrrole
CID 158881410
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-tert-butyl-4-methyl-N-prop-1-en-2-ylthiolan-3-amine
CID 167090799
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 4-tert-butyl-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole?
The IUPAC name of 4-tert-butyl-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole (CID 148648462) is 4-tert-butyl-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole.
What is the SMILES notation for 4-tert-butyl-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole?
The canonical SMILES for 4-tert-butyl-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole is C=C1CC2C(CSC2C(C)(C)C)N1.
What is the InChIKey of 4-tert-butyl-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole?
The InChIKey is NLLCPEFVSDKEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-7-5-8-9(12-7)6-13-10(8)11(2,3)4/h8-10,12H,1,5-6H2,2-4H3.
What are the key properties of 4-tert-butyl-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole?
4-tert-butyl-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole has a molecular weight of 197.35 g/mol, XLogP of 2.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole is sourced from PubChem (CID 148648462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).