1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea

C13H20F3N3O2 — CID 136527151

IUPAC1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea
SMILESCN1CCC(NC(=O)NC2CCCC(C(F)(F)F)C2)C1=O
InChIInChI=1S/C13H20F3N3O2/c1-19-6-5-10(11(19)20)18-12(21)17-9-4-2-3-8(7-9)13(14,15)16/h8-10H,2-7H2,1H3,(H2,17,18,21)
InChIKeyNTGJYNGWUSVQPX-UHFFFAOYSA-N
MW307.32 g/mol
LogP1.64
Rot. Bonds2

About 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea

1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea (PubChem CID 136527151) has the molecular formula C13H20F3N3O2 and a molecular weight of 307.32 g/mol. Its IUPAC name is 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea
PubChem CID136527151
Molecular FormulaC13H20F3N3O2
Molecular Weight307.32 g/mol
Exact Mass307.15
IUPAC Name1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea
SMILESCN1CCC(NC(=O)NC2CCCC(C(F)(F)F)C2)C1=O
InChIInChI=1S/C13H20F3N3O2/c1-19-6-5-10(11(19)20)18-12(21)17-9-4-2-3-8(7-9)13(14,15)16/h8-10H,2-7H2,1H3,(H2,17,18,21)
InChIKeyNTGJYNGWUSVQPX-UHFFFAOYSA-N
XLogP1.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea (CID 136527151) is 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea is CN1CCC(NC(=O)NC2CCCC(C(F)(F)F)C2)C1=O.
What is the InChIKey of 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is NTGJYNGWUSVQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O2/c1-19-6-5-10(11(19)20)18-12(21)17-9-4-2-3-8(7-9)13(14,15)16/h8-10H,2-7H2,1H3,(H2,17,18,21).
What are the key properties of 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea?
1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 307.32 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 136527151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).