N-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C9H13F3N2O — CID 63708579

IUPACN-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESC=CCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C9H13F3N2O/c1-2-4-14-7(15)8(9(10,11)12)3-5-13-6-8/h2,13H,1,3-6H2,(H,14,15)
InChIKeyCHKZNKNQYNRJCI-UHFFFAOYSA-N
MW222.21 g/mol
LogP0.83
Rot. Bonds3

About N-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63708579) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is N-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63708579
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC NameN-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESC=CCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C9H13F3N2O/c1-2-4-14-7(15)8(9(10,11)12)3-5-13-6-8/h2,13H,1,3-6H2,(H,14,15)
InChIKeyCHKZNKNQYNRJCI-UHFFFAOYSA-N
XLogP0.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63708579) is N-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is C=CCNC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is CHKZNKNQYNRJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-2-4-14-7(15)8(9(10,11)12)3-5-13-6-8/h2,13H,1,3-6H2,(H,14,15).
What are the key properties of N-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 222.21 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63708579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).