5-[(E)-pent-2-enyl]-1,3-oxazolidine-2-thione

C8H13NOS — CID 100977005

IUPAC5-[(E)-pent-2-enyl]-1,3-oxazolidine-2-thione
SMILESCC/C=C/CC1CNC(=S)O1
InChIInChI=1S/C8H13NOS/c1-2-3-4-5-7-6-9-8(11)10-7/h3-4,7H,2,5-6H2,1H3,(H,9,11)/b4-3+
InChIKeyACIWLMYKTJOHDB-ONEGZZNKSA-N
MW171.26 g/mol
LogP1.62
Rot. Bonds3

About 5-[(E)-pent-2-enyl]-1,3-oxazolidine-2-thione

5-[(E)-pent-2-enyl]-1,3-oxazolidine-2-thione (PubChem CID 100977005) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 5-[(E)-pent-2-enyl]-1,3-oxazolidine-2-thione.

Molecular Properties

Compound Name5-[(E)-pent-2-enyl]-1,3-oxazolidine-2-thione
PubChem CID100977005
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name5-[(E)-pent-2-enyl]-1,3-oxazolidine-2-thione
SMILESCC/C=C/CC1CNC(=S)O1
InChIInChI=1S/C8H13NOS/c1-2-3-4-5-7-6-9-8(11)10-7/h3-4,7H,2,5-6H2,1H3,(H,9,11)/b4-3+
InChIKeyACIWLMYKTJOHDB-ONEGZZNKSA-N
XLogP1.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-pent-2-enyl]-1,3-oxazolidine-2-thione?
The IUPAC name of 5-[(E)-pent-2-enyl]-1,3-oxazolidine-2-thione (CID 100977005) is 5-[(E)-pent-2-enyl]-1,3-oxazolidine-2-thione.
What is the SMILES notation for 5-[(E)-pent-2-enyl]-1,3-oxazolidine-2-thione?
The canonical SMILES for 5-[(E)-pent-2-enyl]-1,3-oxazolidine-2-thione is CC/C=C/CC1CNC(=S)O1.
What is the InChIKey of 5-[(E)-pent-2-enyl]-1,3-oxazolidine-2-thione?
The InChIKey is ACIWLMYKTJOHDB-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H13NOS/c1-2-3-4-5-7-6-9-8(11)10-7/h3-4,7H,2,5-6H2,1H3,(H,9,11)/b4-3+.
What are the key properties of 5-[(E)-pent-2-enyl]-1,3-oxazolidine-2-thione?
5-[(E)-pent-2-enyl]-1,3-oxazolidine-2-thione has a molecular weight of 171.26 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-pent-2-enyl]-1,3-oxazolidine-2-thione is sourced from PubChem (CID 100977005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).