4-amino-1-propan-2-yl-5-(trifluoromethyl)pyrrolidin-2-one

C8H13F3N2O — CID 83688621

IUPAC4-amino-1-propan-2-yl-5-(trifluoromethyl)pyrrolidin-2-one
SMILESCC(C)N1C(=O)CC(N)C1C(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-4(2)13-6(14)3-5(12)7(13)8(9,10)11/h4-5,7H,3,12H2,1-2H3
InChIKeyNBCOAUMRXBDIID-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.89
Rot. Bonds1

About 4-amino-1-propan-2-yl-5-(trifluoromethyl)pyrrolidin-2-one

4-amino-1-propan-2-yl-5-(trifluoromethyl)pyrrolidin-2-one (PubChem CID 83688621) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 4-amino-1-propan-2-yl-5-(trifluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-propan-2-yl-5-(trifluoromethyl)pyrrolidin-2-one
PubChem CID83688621
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name4-amino-1-propan-2-yl-5-(trifluoromethyl)pyrrolidin-2-one
SMILESCC(C)N1C(=O)CC(N)C1C(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-4(2)13-6(14)3-5(12)7(13)8(9,10)11/h4-5,7H,3,12H2,1-2H3
InChIKeyNBCOAUMRXBDIID-UHFFFAOYSA-N
XLogP0.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-propan-2-yl-5-(trifluoromethyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-propan-2-yl-5-(trifluoromethyl)pyrrolidin-2-one (CID 83688621) is 4-amino-1-propan-2-yl-5-(trifluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-propan-2-yl-5-(trifluoromethyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-propan-2-yl-5-(trifluoromethyl)pyrrolidin-2-one is CC(C)N1C(=O)CC(N)C1C(F)(F)F.
What is the InChIKey of 4-amino-1-propan-2-yl-5-(trifluoromethyl)pyrrolidin-2-one?
The InChIKey is NBCOAUMRXBDIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-4(2)13-6(14)3-5(12)7(13)8(9,10)11/h4-5,7H,3,12H2,1-2H3.
What are the key properties of 4-amino-1-propan-2-yl-5-(trifluoromethyl)pyrrolidin-2-one?
4-amino-1-propan-2-yl-5-(trifluoromethyl)pyrrolidin-2-one has a molecular weight of 210.20 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-propan-2-yl-5-(trifluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 83688621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).