4-amino-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide

C9H13F3N2O — CID 79207052

IUPAC4-amino-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NCCC(F)(F)F)C1
InChIInChI=1S/C9H13F3N2O/c10-9(11,12)3-4-14-8(15)6-1-2-7(13)5-6/h1-2,6-7H,3-5,13H2,(H,14,15)
InChIKeyCUZCMNRMBJGFQU-UHFFFAOYSA-N
MW222.21 g/mol
LogP0.96
Rot. Bonds3

About 4-amino-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide

4-amino-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79207052) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is 4-amino-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide
PubChem CID79207052
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name4-amino-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NCCC(F)(F)F)C1
InChIInChI=1S/C9H13F3N2O/c10-9(11,12)3-4-14-8(15)6-1-2-7(13)5-6/h1-2,6-7H,3-5,13H2,(H,14,15)
InChIKeyCUZCMNRMBJGFQU-UHFFFAOYSA-N
XLogP0.96
TPSA55.12 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 ≤ 50.96
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 4-amino-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide (CID 79207052) is 4-amino-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)NCCC(F)(F)F)C1.
What is the InChIKey of 4-amino-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is CUZCMNRMBJGFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c10-9(11,12)3-4-14-8(15)6-1-2-7(13)5-6/h1-2,6-7H,3-5,13H2,(H,14,15).
What are the key properties of 4-amino-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 222.21 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79207052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).