5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide

C14H18N2O2 — CID 558750

IUPAC5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CCC(=O)N2)c(C)c1
InChIInChI=1S/C14H18N2O2/c1-8-6-9(2)13(10(3)7-8)16-14(18)11-4-5-12(17)15-11/h6-7,11H,4-5H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyOLVSOINMEHIJEE-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.83
Rot. Bonds2

About 5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide

5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide (PubChem CID 558750) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide
PubChem CID558750
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CCC(=O)N2)c(C)c1
InChIInChI=1S/C14H18N2O2/c1-8-6-9(2)13(10(3)7-8)16-14(18)11-4-5-12(17)15-11/h6-7,11H,4-5H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyOLVSOINMEHIJEE-UHFFFAOYSA-N
XLogP1.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide (CID 558750) is 5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide is Cc1cc(C)c(NC(=O)C2CCC(=O)N2)c(C)c1.
What is the InChIKey of 5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is OLVSOINMEHIJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-8-6-9(2)13(10(3)7-8)16-14(18)11-4-5-12(17)15-11/h6-7,11H,4-5H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of 5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide?
5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 558750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).