N-(3,4,4-trifluorobut-3-enyl)pyrrolidine-2-carboxamide

C9H13F3N2O — CID 19380000

IUPACN-(3,4,4-trifluorobut-3-enyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCC(F)=C(F)F)C1CCCN1
InChIInChI=1S/C9H13F3N2O/c10-6(8(11)12)3-5-14-9(15)7-2-1-4-13-7/h7,13H,1-5H2,(H,14,15)
InChIKeyKKOOCUSRKJTUPI-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.32
Rot. Bonds4

About N-(3,4,4-trifluorobut-3-enyl)pyrrolidine-2-carboxamide

N-(3,4,4-trifluorobut-3-enyl)pyrrolidine-2-carboxamide (PubChem CID 19380000) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is N-(3,4,4-trifluorobut-3-enyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4,4-trifluorobut-3-enyl)pyrrolidine-2-carboxamide
PubChem CID19380000
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC NameN-(3,4,4-trifluorobut-3-enyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCC(F)=C(F)F)C1CCCN1
InChIInChI=1S/C9H13F3N2O/c10-6(8(11)12)3-5-14-9(15)7-2-1-4-13-7/h7,13H,1-5H2,(H,14,15)
InChIKeyKKOOCUSRKJTUPI-UHFFFAOYSA-N
XLogP1.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3,4,4-trifluorobut-3-enyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,4,4-trifluorobut-3-enyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(3,4,4-trifluorobut-3-enyl)pyrrolidine-2-carboxamide (CID 19380000) is N-(3,4,4-trifluorobut-3-enyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3,4,4-trifluorobut-3-enyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3,4,4-trifluorobut-3-enyl)pyrrolidine-2-carboxamide is O=C(NCCC(F)=C(F)F)C1CCCN1.
What is the InChIKey of N-(3,4,4-trifluorobut-3-enyl)pyrrolidine-2-carboxamide?
The InChIKey is KKOOCUSRKJTUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c10-6(8(11)12)3-5-14-9(15)7-2-1-4-13-7/h7,13H,1-5H2,(H,14,15).
What are the key properties of N-(3,4,4-trifluorobut-3-enyl)pyrrolidine-2-carboxamide?
N-(3,4,4-trifluorobut-3-enyl)pyrrolidine-2-carboxamide has a molecular weight of 222.21 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,4-trifluorobut-3-enyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 19380000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).