2,3-dihydrocyclopenta[b][1]benzoselenol-1-one

C11H8OSe — CID 134909110

IUPAC2,3-dihydrocyclopenta[b][1]benzoselenol-1-one
SMILESO=C1CCc2[se]c3ccccc3c21
InChIInChI=1S/C11H8OSe/c12-8-5-6-10-11(8)7-3-1-2-4-9(7)13-10/h1-4H,5-6H2
InChIKeyDDKXQHPCTIRRAO-UHFFFAOYSA-N
MW235.14 g/mol
LogP2.03
Rot. Bonds

About 2,3-dihydrocyclopenta[b][1]benzoselenol-1-one

2,3-dihydrocyclopenta[b][1]benzoselenol-1-one (PubChem CID 134909110) has the molecular formula C11H8OSe and a molecular weight of 235.14 g/mol. Its IUPAC name is 2,3-dihydrocyclopenta[b][1]benzoselenol-1-one.

Molecular Properties

Compound Name2,3-dihydrocyclopenta[b][1]benzoselenol-1-one
PubChem CID134909110
Molecular FormulaC11H8OSe
Molecular Weight235.14 g/mol
Exact Mass235.97
IUPAC Name2,3-dihydrocyclopenta[b][1]benzoselenol-1-one
SMILESO=C1CCc2[se]c3ccccc3c21
InChIInChI=1S/C11H8OSe/c12-8-5-6-10-11(8)7-3-1-2-4-9(7)13-10/h1-4H,5-6H2
InChIKeyDDKXQHPCTIRRAO-UHFFFAOYSA-N
XLogP2.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.14
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 134938353
1,2,6,7-tetrahydroindeno[7,6-g]indene-3,8-dione
CID 118516621
2-hydroxy-3-methylselenochromen-4-one
CID 134911237
3-bromo-1-benzoselenophene-2-carboxylic acid
CID 560670
3-bromo-1-benzoselenophene-2-carboxamide
CID 15311358
1-methylselenoxanthen-9-one
CID 154714839
9,10-bis(2,4,6-trimethylanilino)-2,3-dihydroanthracene-1,4-dione
CID 11134566
4-naphthalen-1-yl-2,3-dihydrocyclopenta[b]naphthalen-1-one
CID 134969765
6,11-dioxotetracene-5,12-diolate
CID 102258482
2H-cyclobuta[l]phenanthren-1-one
CID 10398472

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrocyclopenta[b][1]benzoselenol-1-one?
The IUPAC name of 2,3-dihydrocyclopenta[b][1]benzoselenol-1-one (CID 134909110) is 2,3-dihydrocyclopenta[b][1]benzoselenol-1-one.
What is the SMILES notation for 2,3-dihydrocyclopenta[b][1]benzoselenol-1-one?
The canonical SMILES for 2,3-dihydrocyclopenta[b][1]benzoselenol-1-one is O=C1CCc2[se]c3ccccc3c21.
What is the InChIKey of 2,3-dihydrocyclopenta[b][1]benzoselenol-1-one?
The InChIKey is DDKXQHPCTIRRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8OSe/c12-8-5-6-10-11(8)7-3-1-2-4-9(7)13-10/h1-4H,5-6H2.
What are the key properties of 2,3-dihydrocyclopenta[b][1]benzoselenol-1-one?
2,3-dihydrocyclopenta[b][1]benzoselenol-1-one has a molecular weight of 235.14 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrocyclopenta[b][1]benzoselenol-1-one is sourced from PubChem (CID 134909110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).