3-(cyclobutylidenemethyl)thiophene

C9H10S — CID 144506792

IUPAC3-(cyclobutylidenemethyl)thiophene
SMILESC(=C1CCC1)c1ccsc1
InChIInChI=1S/C9H10S/c1-2-8(3-1)6-9-4-5-10-7-9/h4-7H,1-3H2
InChIKeyFVAKCRZNUMNTDS-UHFFFAOYSA-N
MW150.25 g/mol
LogP3.32
Rot. Bonds1

About 3-(cyclobutylidenemethyl)thiophene

3-(cyclobutylidenemethyl)thiophene (PubChem CID 144506792) has the molecular formula C9H10S and a molecular weight of 150.25 g/mol. Its IUPAC name is 3-(cyclobutylidenemethyl)thiophene.

Molecular Properties

Compound Name3-(cyclobutylidenemethyl)thiophene
PubChem CID144506792
Molecular FormulaC9H10S
Molecular Weight150.25 g/mol
Exact Mass150.05
IUPAC Name3-(cyclobutylidenemethyl)thiophene
SMILESC(=C1CCC1)c1ccsc1
InChIInChI=1S/C9H10S/c1-2-8(3-1)6-9-4-5-10-7-9/h4-7H,1-3H2
InChIKeyFVAKCRZNUMNTDS-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.25
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylidenemethyl)thiophene?
The IUPAC name of 3-(cyclobutylidenemethyl)thiophene (CID 144506792) is 3-(cyclobutylidenemethyl)thiophene.
What is the SMILES notation for 3-(cyclobutylidenemethyl)thiophene?
The canonical SMILES for 3-(cyclobutylidenemethyl)thiophene is C(=C1CCC1)c1ccsc1.
What is the InChIKey of 3-(cyclobutylidenemethyl)thiophene?
The InChIKey is FVAKCRZNUMNTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10S/c1-2-8(3-1)6-9-4-5-10-7-9/h4-7H,1-3H2.
What are the key properties of 3-(cyclobutylidenemethyl)thiophene?
3-(cyclobutylidenemethyl)thiophene has a molecular weight of 150.25 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylidenemethyl)thiophene is sourced from PubChem (CID 144506792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).