5-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-2,3-dihydrothiophene

C11H12S — CID 144792520

IUPAC5-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-2,3-dihydrothiophene
SMILESC1=CC2CC2(C2=CCCS2)C=C1
InChIInChI=1S/C11H12S/c1-2-6-11(8-9(11)4-1)10-5-3-7-12-10/h1-2,4-6,9H,3,7-8H2
InChIKeyDOVMKNVZZAAWDW-UHFFFAOYSA-N
MW176.28 g/mol
LogP3.14
Rot. Bonds1

About 5-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-2,3-dihydrothiophene

5-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-2,3-dihydrothiophene (PubChem CID 144792520) has the molecular formula C11H12S and a molecular weight of 176.28 g/mol. Its IUPAC name is 5-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-2,3-dihydrothiophene.

Molecular Properties

Compound Name5-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-2,3-dihydrothiophene
PubChem CID144792520
Molecular FormulaC11H12S
Molecular Weight176.28 g/mol
Exact Mass176.07
IUPAC Name5-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-2,3-dihydrothiophene
SMILESC1=CC2CC2(C2=CCCS2)C=C1
InChIInChI=1S/C11H12S/c1-2-6-11(8-9(11)4-1)10-5-3-7-12-10/h1-2,4-6,9H,3,7-8H2
InChIKeyDOVMKNVZZAAWDW-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-2,3-dihydrothiophene?
The IUPAC name of 5-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-2,3-dihydrothiophene (CID 144792520) is 5-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-2,3-dihydrothiophene.
What is the SMILES notation for 5-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-2,3-dihydrothiophene?
The canonical SMILES for 5-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-2,3-dihydrothiophene is C1=CC2CC2(C2=CCCS2)C=C1.
What is the InChIKey of 5-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-2,3-dihydrothiophene?
The InChIKey is DOVMKNVZZAAWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12S/c1-2-6-11(8-9(11)4-1)10-5-3-7-12-10/h1-2,4-6,9H,3,7-8H2.
What are the key properties of 5-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-2,3-dihydrothiophene?
5-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-2,3-dihydrothiophene has a molecular weight of 176.28 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-2,3-dihydrothiophene is sourced from PubChem (CID 144792520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).