4-amino-N-methyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide

C9H13F3N2O — CID 79211268

IUPAC4-amino-N-methyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
SMILESCN(CC(F)(F)F)C(=O)C1C=CC(N)C1
InChIInChI=1S/C9H13F3N2O/c1-14(5-9(10,11)12)8(15)6-2-3-7(13)4-6/h2-3,6-7H,4-5,13H2,1H3
InChIKeyUNBDURWMCXCEFS-UHFFFAOYSA-N
MW222.21 g/mol
LogP0.91
Rot. Bonds2

About 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide

4-amino-N-methyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79211268) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
PubChem CID79211268
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name4-amino-N-methyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
SMILESCN(CC(F)(F)F)C(=O)C1C=CC(N)C1
InChIInChI=1S/C9H13F3N2O/c1-14(5-9(10,11)12)8(15)6-2-3-7(13)4-6/h2-3,6-7H,4-5,13H2,1H3
InChIKeyUNBDURWMCXCEFS-UHFFFAOYSA-N
XLogP0.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-3,3-difluorobutan-2-yl]cyclopent-3-ene-1-carboxamide
CID 164642741
2,2,2-trifluoro-N-[(1R)-4-methylcyclohex-2-en-1-yl]acetamide
CID 141893727
3-[(Z)-2-amino-4-fluoropent-3-enyl]pyrrolidin-2-one
CID 169685498
N-[(1S)-cyclopent-2-en-1-yl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 14688655
4-amino-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide
CID 79207052
4-amino-N-methyl-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide
CID 79207067
(4-Aminocyclopent-2-en-1-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 79207068
4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
CID 79207112
(4-Aminocyclopent-2-en-1-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 79207218
4-amino-N-ethyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
CID 79208280
4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopent-2-ene-1-carboxamide
CID 79208300
4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
CID 79208374

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide (CID 79211268) is 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide is CN(CC(F)(F)F)C(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is UNBDURWMCXCEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-14(5-9(10,11)12)8(15)6-2-3-7(13)4-6/h2-3,6-7H,4-5,13H2,1H3.
What are the key properties of 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-methyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 222.21 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79211268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).