4-amino-N-(5,5,5-trifluoropentyl)cyclopent-2-ene-1-carboxamide

C11H17F3N2O — CID 113327514

IUPAC4-amino-N-(5,5,5-trifluoropentyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NCCCCC(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)5-1-2-6-16-10(17)8-3-4-9(15)7-8/h3-4,8-9H,1-2,5-7,15H2,(H,16,17)
InChIKeyKMLRHKIZAXGESQ-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.74
Rot. Bonds5

About 4-amino-N-(5,5,5-trifluoropentyl)cyclopent-2-ene-1-carboxamide

4-amino-N-(5,5,5-trifluoropentyl)cyclopent-2-ene-1-carboxamide (PubChem CID 113327514) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 4-amino-N-(5,5,5-trifluoropentyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5,5,5-trifluoropentyl)cyclopent-2-ene-1-carboxamide
PubChem CID113327514
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name4-amino-N-(5,5,5-trifluoropentyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NCCCCC(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)5-1-2-6-16-10(17)8-3-4-9(15)7-8/h3-4,8-9H,1-2,5-7,15H2,(H,16,17)
InChIKeyKMLRHKIZAXGESQ-UHFFFAOYSA-N
XLogP1.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
5-amino-N-[5,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentanamide
CID 70892604
2-(3-aminopropyl)-N-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pent-4-enamide
CID 89073749
5-amino-N-[(5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,5-dien-3-yl]pentanamide
CID 89153913
(4R)-4-amino-N-[(2E,4Z)-3,5-difluoro-4-(trifluoromethyl)hepta-2,4,6-trienyl]cyclohex-2-ene-1-carboxamide
CID 89214781
N-[[(1R,4R)-4-(2-amino-2-oxoethyl)cyclopent-2-en-1-yl]methyl]-2,2,2-trifluoroacetamide
CID 89472517
(3S)-3-[(E,2S)-2-aminopent-3-enyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 91202602
N-(2,2,2-trifluoroethyl)cyclohex-3-ene-1-carboxamide
CID 133575565
2,2,2-trifluoro-N-[(1R)-4-methylcyclohex-2-en-1-yl]acetamide
CID 141893727
2-ethyl-N-(2-fluorocyclohex-2-en-1-yl)pentanamide
CID 157204878
(3S)-4-amino-N-[(Z,2S,3E)-3-ethylidene-6-fluorohex-4-en-2-yl]-3-fluoropentanamide
CID 163952641
3-[(Z)-2-amino-4-fluoropent-3-enyl]pyrrolidin-2-one
CID 169685498

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5,5,5-trifluoropentyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(5,5,5-trifluoropentyl)cyclopent-2-ene-1-carboxamide (CID 113327514) is 4-amino-N-(5,5,5-trifluoropentyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(5,5,5-trifluoropentyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(5,5,5-trifluoropentyl)cyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)NCCCCC(F)(F)F)C1.
What is the InChIKey of 4-amino-N-(5,5,5-trifluoropentyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is KMLRHKIZAXGESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c12-11(13,14)5-1-2-6-16-10(17)8-3-4-9(15)7-8/h3-4,8-9H,1-2,5-7,15H2,(H,16,17).
What are the key properties of 4-amino-N-(5,5,5-trifluoropentyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(5,5,5-trifluoropentyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 250.26 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5,5,5-trifluoropentyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 113327514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).