1-(2-methyl-2-phenylselanylcyclobutyl)ethanone

C13H16OSe — CID 85093402

IUPAC1-(2-methyl-2-phenylselanylcyclobutyl)ethanone
SMILESCC(=O)C1CCC1(C)[Se]c1ccccc1
InChIInChI=1S/C13H16OSe/c1-10(14)12-8-9-13(12,2)15-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3
InChIKeyWYJURAAVRARGHB-UHFFFAOYSA-N
MW267.23 g/mol
LogP2.19
Rot. Bonds3

About 1-(2-methyl-2-phenylselanylcyclobutyl)ethanone

1-(2-methyl-2-phenylselanylcyclobutyl)ethanone (PubChem CID 85093402) has the molecular formula C13H16OSe and a molecular weight of 267.23 g/mol. Its IUPAC name is 1-(2-methyl-2-phenylselanylcyclobutyl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-2-phenylselanylcyclobutyl)ethanone
PubChem CID85093402
Molecular FormulaC13H16OSe
Molecular Weight267.23 g/mol
Exact Mass268.04
IUPAC Name1-(2-methyl-2-phenylselanylcyclobutyl)ethanone
SMILESCC(=O)C1CCC1(C)[Se]c1ccccc1
InChIInChI=1S/C13H16OSe/c1-10(14)12-8-9-13(12,2)15-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3
InChIKeyWYJURAAVRARGHB-UHFFFAOYSA-N
XLogP2.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 52.19
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

methyl (1S,2R,5S)-2-hydroxy-5-methyl-5-phenylselanylcyclohexane-1-carboxylate
CID 11221113
1-[(3S,4S)-1-benzyl-4-hydroxy-4-methylpiperidin-3-yl]ethanone
CID 54122548
1-(4-hydroxy-4-methyl-1-phenylpiperidin-3-yl)ethanone
CID 57060479
(3-benzoyl-2,2,3-trimethylcyclopentyl)-phenylmethanone
CID 2750591
2-benzoyl-1-methylcyclohexane-1-carboxylic acid
CID 13054541
cis-(1S,2S)-1-methyl-2-phenylcyclobutane-1-carboxylic acid
CID 99992019
1-[(2S,3R)-3-hydroxy-2-(phenylselanylmethyl)pyrrolidin-1-yl]ethanone
CID 11130280
[(1S,2S,5S)-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-2-yl]-phenylmethanone
CID 639381
1-(4-benzhydrylidene-2,2-dimethyl-3-propan-2-ylidenecyclopentyl)ethanone
CID 25194619
(3a-benzoylsulfanyl-1,3-dioxo-4,5,6,6a-tetrahydrocyclopenta[c]pyrrol-6-yl) acetate
CID 121256340
Se-phenyl 3-methylbut-2-eneselenoate
CID 12725292
1-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethanone
CID 172679993

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2-phenylselanylcyclobutyl)ethanone?
The IUPAC name of 1-(2-methyl-2-phenylselanylcyclobutyl)ethanone (CID 85093402) is 1-(2-methyl-2-phenylselanylcyclobutyl)ethanone.
What is the SMILES notation for 1-(2-methyl-2-phenylselanylcyclobutyl)ethanone?
The canonical SMILES for 1-(2-methyl-2-phenylselanylcyclobutyl)ethanone is CC(=O)C1CCC1(C)[Se]c1ccccc1.
What is the InChIKey of 1-(2-methyl-2-phenylselanylcyclobutyl)ethanone?
The InChIKey is WYJURAAVRARGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16OSe/c1-10(14)12-8-9-13(12,2)15-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3.
What are the key properties of 1-(2-methyl-2-phenylselanylcyclobutyl)ethanone?
1-(2-methyl-2-phenylselanylcyclobutyl)ethanone has a molecular weight of 267.23 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2-phenylselanylcyclobutyl)ethanone is sourced from PubChem (CID 85093402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).