1-[2-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]pyrrolidin-2-one

C14H23F3N2O — CID 64759819

IUPAC1-[2-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H23F3N2O/c1-10(9-19-7-3-6-13(19)20)18-12-5-2-4-11(8-12)14(15,16)17/h10-12,18H,2-9H2,1H3
InChIKeySZIJWZIFRIHGPC-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.71
Rot. Bonds4

About 1-[2-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]pyrrolidin-2-one

1-[2-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]pyrrolidin-2-one (PubChem CID 64759819) has the molecular formula C14H23F3N2O and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-[2-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]pyrrolidin-2-one
PubChem CID64759819
Molecular FormulaC14H23F3N2O
Molecular Weight292.35 g/mol
Exact Mass292.18
IUPAC Name1-[2-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H23F3N2O/c1-10(9-19-7-3-6-13(19)20)18-12-5-2-4-11(8-12)14(15,16)17/h10-12,18H,2-9H2,1H3
InChIKeySZIJWZIFRIHGPC-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]pyrrolidin-2-one (CID 64759819) is 1-[2-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]pyrrolidin-2-one is CC(CN1CCCC1=O)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-[2-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]pyrrolidin-2-one?
The InChIKey is SZIJWZIFRIHGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-10(9-19-7-3-6-13(19)20)18-12-5-2-4-11(8-12)14(15,16)17/h10-12,18H,2-9H2,1H3.
What are the key properties of 1-[2-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]pyrrolidin-2-one?
1-[2-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]pyrrolidin-2-one has a molecular weight of 292.35 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 64759819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).