N-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]acetamide

C9H13F3N2O2 — CID 172626129

IUPACN-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]acetamide
SMILESCC(=O)NCC(=O)N1CC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C9H13F3N2O2/c1-6(15)13-4-8(16)14-3-2-7(5-14)9(10,11)12/h7H,2-5H2,1H3,(H,13,15)/t7-/m1/s1
InChIKeyMCSGEWPXLXHIPS-SSDOTTSWSA-N
MW238.21 g/mol
LogP0.53
Rot. Bonds2

About N-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]acetamide

N-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]acetamide (PubChem CID 172626129) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is N-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]acetamide
PubChem CID172626129
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC NameN-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]acetamide
SMILESCC(=O)NCC(=O)N1CC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C9H13F3N2O2/c1-6(15)13-4-8(16)14-3-2-7(5-14)9(10,11)12/h7H,2-5H2,1H3,(H,13,15)/t7-/m1/s1
InChIKeyMCSGEWPXLXHIPS-SSDOTTSWSA-N
XLogP0.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]acetamide (CID 172626129) is N-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]acetamide is CC(=O)NCC(=O)N1CC[C@@H](C(F)(F)F)C1.
What is the InChIKey of N-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]acetamide?
The InChIKey is MCSGEWPXLXHIPS-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13F3N2O2/c1-6(15)13-4-8(16)14-3-2-7(5-14)9(10,11)12/h7H,2-5H2,1H3,(H,13,15)/t7-/m1/s1.
What are the key properties of N-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]acetamide?
N-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]acetamide has a molecular weight of 238.21 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 172626129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).