N-pyrrol-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C10H12F3N3O — CID 79101294

IUPACN-pyrrol-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nn1cccc1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)9(3-4-14-7-9)8(17)15-16-5-1-2-6-16/h1-2,5-6,14H,3-4,7H2,(H,15,17)
InChIKeyWTJZPWJAGNTYDS-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.10
Rot. Bonds2

About N-pyrrol-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-pyrrol-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 79101294) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is N-pyrrol-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-pyrrol-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID79101294
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC NameN-pyrrol-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nn1cccc1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)9(3-4-14-7-9)8(17)15-16-5-1-2-6-16/h1-2,5-6,14H,3-4,7H2,(H,15,17)
InChIKeyWTJZPWJAGNTYDS-UHFFFAOYSA-N
XLogP1.10
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-pyrrol-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-pyrrol-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 79101294) is N-pyrrol-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-pyrrol-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-pyrrol-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(Nn1cccc1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-pyrrol-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is WTJZPWJAGNTYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)9(3-4-14-7-9)8(17)15-16-5-1-2-6-16/h1-2,5-6,14H,3-4,7H2,(H,15,17).
What are the key properties of N-pyrrol-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-pyrrol-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 247.22 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrol-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 79101294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).