2-cyclopent-3-en-1-yl-1,2-benzoselenazol-3-one

C12H11NOSe — CID 88672156

IUPAC2-cyclopent-3-en-1-yl-1,2-benzoselenazol-3-one
SMILESO=c1c2ccccc2[se]n1C1CC=CC1
InChIInChI=1S/C12H11NOSe/c14-12-10-7-3-4-8-11(10)15-13(12)9-5-1-2-6-9/h1-4,7-9H,5-6H2
InChIKeyDTFHRTMRFJOFEE-UHFFFAOYSA-N
MW264.19 g/mol
LogP1.95
Rot. Bonds1

About 2-cyclopent-3-en-1-yl-1,2-benzoselenazol-3-one

2-cyclopent-3-en-1-yl-1,2-benzoselenazol-3-one (PubChem CID 88672156) has the molecular formula C12H11NOSe and a molecular weight of 264.19 g/mol. Its IUPAC name is 2-cyclopent-3-en-1-yl-1,2-benzoselenazol-3-one.

Molecular Properties

Compound Name2-cyclopent-3-en-1-yl-1,2-benzoselenazol-3-one
PubChem CID88672156
Molecular FormulaC12H11NOSe
Molecular Weight264.19 g/mol
Exact Mass265.00
IUPAC Name2-cyclopent-3-en-1-yl-1,2-benzoselenazol-3-one
SMILESO=c1c2ccccc2[se]n1C1CC=CC1
InChIInChI=1S/C12H11NOSe/c14-12-10-7-3-4-8-11(10)15-13(12)9-5-1-2-6-9/h1-4,7-9H,5-6H2
InChIKeyDTFHRTMRFJOFEE-UHFFFAOYSA-N
XLogP1.95
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.19
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-3-en-1-yl-1,2-benzoselenazol-3-one?
The IUPAC name of 2-cyclopent-3-en-1-yl-1,2-benzoselenazol-3-one (CID 88672156) is 2-cyclopent-3-en-1-yl-1,2-benzoselenazol-3-one.
What is the SMILES notation for 2-cyclopent-3-en-1-yl-1,2-benzoselenazol-3-one?
The canonical SMILES for 2-cyclopent-3-en-1-yl-1,2-benzoselenazol-3-one is O=c1c2ccccc2[se]n1C1CC=CC1.
What is the InChIKey of 2-cyclopent-3-en-1-yl-1,2-benzoselenazol-3-one?
The InChIKey is DTFHRTMRFJOFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOSe/c14-12-10-7-3-4-8-11(10)15-13(12)9-5-1-2-6-9/h1-4,7-9H,5-6H2.
What are the key properties of 2-cyclopent-3-en-1-yl-1,2-benzoselenazol-3-one?
2-cyclopent-3-en-1-yl-1,2-benzoselenazol-3-one has a molecular weight of 264.19 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-3-en-1-yl-1,2-benzoselenazol-3-one is sourced from PubChem (CID 88672156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).