2-methylidene-5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridine

C8H11NS — CID 129089016

IUPAC2-methylidene-5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridine
SMILESC=C1C=C2CNCCC2S1
InChIInChI=1S/C8H11NS/c1-6-4-7-5-9-3-2-8(7)10-6/h4,8-9H,1-3,5H2
InChIKeyBVRYZHAAAAYGRZ-UHFFFAOYSA-N
MW153.25 g/mol
LogP1.54
Rot. Bonds

About 2-methylidene-5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridine

2-methylidene-5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridine (PubChem CID 129089016) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 2-methylidene-5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name2-methylidene-5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridine
PubChem CID129089016
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name2-methylidene-5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridine
SMILESC=C1C=C2CNCCC2S1
InChIInChI=1S/C8H11NS/c1-6-4-7-5-9-3-2-8(7)10-6/h4,8-9H,1-3,5H2
InChIKeyBVRYZHAAAAYGRZ-UHFFFAOYSA-N
XLogP1.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 2-methylidene-5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridine (CID 129089016) is 2-methylidene-5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 2-methylidene-5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 2-methylidene-5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridine is C=C1C=C2CNCCC2S1.
What is the InChIKey of 2-methylidene-5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridine?
The InChIKey is BVRYZHAAAAYGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-6-4-7-5-9-3-2-8(7)10-6/h4,8-9H,1-3,5H2.
What are the key properties of 2-methylidene-5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridine?
2-methylidene-5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridine has a molecular weight of 153.25 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 129089016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).