N-[2-(dimethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C10H16F3N3O2 — CID 55227449

IUPACN-[2-(dimethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN(C)C(=O)CNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H16F3N3O2/c1-16(2)7(17)5-15-8(18)9(10(11,12)13)3-4-14-6-9/h14H,3-6H2,1-2H3,(H,15,18)
InChIKeyUUPRZQOUEIHAMO-UHFFFAOYSA-N
MW267.25 g/mol
LogP-0.27
Rot. Bonds3

About N-[2-(dimethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-[2-(dimethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 55227449) has the molecular formula C10H16F3N3O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID55227449
Molecular FormulaC10H16F3N3O2
Molecular Weight267.25 g/mol
Exact Mass267.12
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN(C)C(=O)CNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H16F3N3O2/c1-16(2)7(17)5-15-8(18)9(10(11,12)13)3-4-14-6-9/h14H,3-6H2,1-2H3,(H,15,18)
InChIKeyUUPRZQOUEIHAMO-UHFFFAOYSA-N
XLogP-0.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 55227449) is N-[2-(dimethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CN(C)C(=O)CNC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is UUPRZQOUEIHAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2/c1-16(2)7(17)5-15-8(18)9(10(11,12)13)3-4-14-6-9/h14H,3-6H2,1-2H3,(H,15,18).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 267.25 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55227449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).