1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethyl)urea

C10H16F3N3O2 — CID 113230184

IUPAC1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCN(CC(=O)N1CCCC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H16F3N3O2/c1-15(9(18)14-7-10(11,12)13)6-8(17)16-4-2-3-5-16/h2-7H2,1H3,(H,14,18)
InChIKeyARKONFKBCJQIEZ-UHFFFAOYSA-N
MW267.25 g/mol
LogP0.81
Rot. Bonds3

About 1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethyl)urea

1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 113230184) has the molecular formula C10H16F3N3O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID113230184
Molecular FormulaC10H16F3N3O2
Molecular Weight267.25 g/mol
Exact Mass267.12
IUPAC Name1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCN(CC(=O)N1CCCC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H16F3N3O2/c1-15(9(18)14-7-10(11,12)13)6-8(17)16-4-2-3-5-16/h2-7H2,1H3,(H,14,18)
InChIKeyARKONFKBCJQIEZ-UHFFFAOYSA-N
XLogP0.81
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethyl)urea (CID 113230184) is 1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethyl)urea is CN(CC(=O)N1CCCC1)C(=O)NCC(F)(F)F.
What is the InChIKey of 1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is ARKONFKBCJQIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2/c1-15(9(18)14-7-10(11,12)13)6-8(17)16-4-2-3-5-16/h2-7H2,1H3,(H,14,18).
What are the key properties of 1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethyl)urea?
1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 267.25 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 113230184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).