N-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C11H14F3N3O — CID 106384754

IUPACN-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1cc[nH]c1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)10(2-4-16-7-10)9(18)17-6-8-1-3-15-5-8/h1,3,5,15-16H,2,4,6-7H2,(H,17,18)
InChIKeyFFEBNQKGPDFLJB-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.17
Rot. Bonds3

About N-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 106384754) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is N-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID106384754
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC NameN-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1cc[nH]c1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)10(2-4-16-7-10)9(18)17-6-8-1-3-15-5-8/h1,3,5,15-16H,2,4,6-7H2,(H,17,18)
InChIKeyFFEBNQKGPDFLJB-UHFFFAOYSA-N
XLogP1.17
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 106384754) is N-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(NCc1cc[nH]c1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is FFEBNQKGPDFLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)10(2-4-16-7-10)9(18)17-6-8-1-3-15-5-8/h1,3,5,15-16H,2,4,6-7H2,(H,17,18).
What are the key properties of N-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 261.25 g/mol, XLogP of 1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 106384754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).