3-prop-2-enoxythiophene

C7H8OS — CID 13277932

IUPAC3-prop-2-enoxythiophene
SMILESC=CCOc1ccsc1
InChIInChI=1S/C7H8OS/c1-2-4-8-7-3-5-9-6-7/h2-3,5-6H,1,4H2
InChIKeyMOZVPRSRZZVDQO-UHFFFAOYSA-N
MW140.21 g/mol
LogP2.31
Rot. Bonds3

About 3-prop-2-enoxythiophene

3-prop-2-enoxythiophene (PubChem CID 13277932) has the molecular formula C7H8OS and a molecular weight of 140.21 g/mol. Its IUPAC name is 3-prop-2-enoxythiophene.

Molecular Properties

Compound Name3-prop-2-enoxythiophene
PubChem CID13277932
Molecular FormulaC7H8OS
Molecular Weight140.21 g/mol
Exact Mass140.03
IUPAC Name3-prop-2-enoxythiophene
SMILESC=CCOc1ccsc1
InChIInChI=1S/C7H8OS/c1-2-4-8-7-3-5-9-6-7/h2-3,5-6H,1,4H2
InChIKeyMOZVPRSRZZVDQO-UHFFFAOYSA-N
XLogP2.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxythiophene?
The IUPAC name of 3-prop-2-enoxythiophene (CID 13277932) is 3-prop-2-enoxythiophene.
What is the SMILES notation for 3-prop-2-enoxythiophene?
The canonical SMILES for 3-prop-2-enoxythiophene is C=CCOc1ccsc1.
What is the InChIKey of 3-prop-2-enoxythiophene?
The InChIKey is MOZVPRSRZZVDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8OS/c1-2-4-8-7-3-5-9-6-7/h2-3,5-6H,1,4H2.
What are the key properties of 3-prop-2-enoxythiophene?
3-prop-2-enoxythiophene has a molecular weight of 140.21 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxythiophene is sourced from PubChem (CID 13277932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).