1-(4-methylphenyl)-2-pyrrolidin-1-yl-2-selanylideneethanone

C13H15NOSe — CID 15310511

IUPAC1-(4-methylphenyl)-2-pyrrolidin-1-yl-2-selanylideneethanone
SMILESCc1ccc(C(=O)C(=[Se])N2CCCC2)cc1
InChIInChI=1S/C13H15NOSe/c1-10-4-6-11(7-5-10)12(15)13(16)14-8-2-3-9-14/h4-7H,2-3,8-9H2,1H3
InChIKeyJSCJAZYMKZRISU-UHFFFAOYSA-N
MW280.23 g/mol
LogP1.57
Rot. Bonds3

About 1-(4-methylphenyl)-2-pyrrolidin-1-yl-2-selanylideneethanone

1-(4-methylphenyl)-2-pyrrolidin-1-yl-2-selanylideneethanone (PubChem CID 15310511) has the molecular formula C13H15NOSe and a molecular weight of 280.23 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-pyrrolidin-1-yl-2-selanylideneethanone.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-pyrrolidin-1-yl-2-selanylideneethanone
PubChem CID15310511
Molecular FormulaC13H15NOSe
Molecular Weight280.23 g/mol
Exact Mass281.03
IUPAC Name1-(4-methylphenyl)-2-pyrrolidin-1-yl-2-selanylideneethanone
SMILESCc1ccc(C(=O)C(=[Se])N2CCCC2)cc1
InChIInChI=1S/C13H15NOSe/c1-10-4-6-11(7-5-10)12(15)13(16)14-8-2-3-9-14/h4-7H,2-3,8-9H2,1H3
InChIKeyJSCJAZYMKZRISU-UHFFFAOYSA-N
XLogP1.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.23
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
(4-methylphenyl)-pyrrolidin-1-ylmethanone;propane
CID 143994279
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
(2-oxo-2-pyrrolidin-1-ylethyl) 4-methylbenzoate;propane
CID 145271189
1-(azepan-1-yl)-4-(4-methylphenyl)butane-1,4-dione
CID 2097562
N-methyl-1-(4-methylphenyl)-1-piperidin-1-ylmethanimine
CID 3049227
1-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
CID 82118297
(4-methylphenyl)-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798290
(Z)-1,2,3,4-tetrakis(4-methylphenyl)but-2-ene-1,4-dione
CID 12516207
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-1-carboxamide
CID 94647353
(3S)-1-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136477
(2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone
CID 925317

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-pyrrolidin-1-yl-2-selanylideneethanone?
The IUPAC name of 1-(4-methylphenyl)-2-pyrrolidin-1-yl-2-selanylideneethanone (CID 15310511) is 1-(4-methylphenyl)-2-pyrrolidin-1-yl-2-selanylideneethanone.
What is the SMILES notation for 1-(4-methylphenyl)-2-pyrrolidin-1-yl-2-selanylideneethanone?
The canonical SMILES for 1-(4-methylphenyl)-2-pyrrolidin-1-yl-2-selanylideneethanone is Cc1ccc(C(=O)C(=[Se])N2CCCC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-pyrrolidin-1-yl-2-selanylideneethanone?
The InChIKey is JSCJAZYMKZRISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOSe/c1-10-4-6-11(7-5-10)12(15)13(16)14-8-2-3-9-14/h4-7H,2-3,8-9H2,1H3.
What are the key properties of 1-(4-methylphenyl)-2-pyrrolidin-1-yl-2-selanylideneethanone?
1-(4-methylphenyl)-2-pyrrolidin-1-yl-2-selanylideneethanone has a molecular weight of 280.23 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-pyrrolidin-1-yl-2-selanylideneethanone is sourced from PubChem (CID 15310511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).