2-(3-methylcyclopenta-1,4-dien-1-yl)thiophene

C10H10S — CID 87139426

IUPAC2-(3-methylcyclopenta-1,4-dien-1-yl)thiophene
SMILESCC1C=CC(c2cccs2)=C1
InChIInChI=1S/C10H10S/c1-8-4-5-9(7-8)10-3-2-6-11-10/h2-8H,1H3
InChIKeyZXGRMFGONVFODR-UHFFFAOYSA-N
MW162.26 g/mol
LogP3.34
Rot. Bonds1

About 2-(3-methylcyclopenta-1,4-dien-1-yl)thiophene

2-(3-methylcyclopenta-1,4-dien-1-yl)thiophene (PubChem CID 87139426) has the molecular formula C10H10S and a molecular weight of 162.26 g/mol. Its IUPAC name is 2-(3-methylcyclopenta-1,4-dien-1-yl)thiophene.

Molecular Properties

Compound Name2-(3-methylcyclopenta-1,4-dien-1-yl)thiophene
PubChem CID87139426
Molecular FormulaC10H10S
Molecular Weight162.26 g/mol
Exact Mass162.05
IUPAC Name2-(3-methylcyclopenta-1,4-dien-1-yl)thiophene
SMILESCC1C=CC(c2cccs2)=C1
InChIInChI=1S/C10H10S/c1-8-4-5-9(7-8)10-3-2-6-11-10/h2-8H,1H3
InChIKeyZXGRMFGONVFODR-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclopenta-1,4-dien-1-yl)thiophene?
The IUPAC name of 2-(3-methylcyclopenta-1,4-dien-1-yl)thiophene (CID 87139426) is 2-(3-methylcyclopenta-1,4-dien-1-yl)thiophene.
What is the SMILES notation for 2-(3-methylcyclopenta-1,4-dien-1-yl)thiophene?
The canonical SMILES for 2-(3-methylcyclopenta-1,4-dien-1-yl)thiophene is CC1C=CC(c2cccs2)=C1.
What is the InChIKey of 2-(3-methylcyclopenta-1,4-dien-1-yl)thiophene?
The InChIKey is ZXGRMFGONVFODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10S/c1-8-4-5-9(7-8)10-3-2-6-11-10/h2-8H,1H3.
What are the key properties of 2-(3-methylcyclopenta-1,4-dien-1-yl)thiophene?
2-(3-methylcyclopenta-1,4-dien-1-yl)thiophene has a molecular weight of 162.26 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclopenta-1,4-dien-1-yl)thiophene is sourced from PubChem (CID 87139426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).