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

C10H15F3N2O — CID 79207067

IUPAC4-amino-N-methyl-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide
SMILESCN(CCC(F)(F)F)C(=O)C1C=CC(N)C1
InChIInChI=1S/C10H15F3N2O/c1-15(5-4-10(11,12)13)9(16)7-2-3-8(14)6-7/h2-3,7-8H,4-6,14H2,1H3
InChIKeyBXSOXKAWCGEBHR-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.30
Rot. Bonds3

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

4-amino-N-methyl-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79207067) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide
PubChem CID79207067
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name4-amino-N-methyl-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide
SMILESCN(CCC(F)(F)F)C(=O)C1C=CC(N)C1
InChIInChI=1S/C10H15F3N2O/c1-15(5-4-10(11,12)13)9(16)7-2-3-8(14)6-7/h2-3,7-8H,4-6,14H2,1H3
InChIKeyBXSOXKAWCGEBHR-UHFFFAOYSA-N
XLogP1.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
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-methyl-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide (CID 79207067) is 4-amino-N-methyl-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide is CN(CCC(F)(F)F)C(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-methyl-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is BXSOXKAWCGEBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-15(5-4-10(11,12)13)9(16)7-2-3-8(14)6-7/h2-3,7-8H,4-6,14H2,1H3.
What are the key properties of 4-amino-N-methyl-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-methyl-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 236.24 g/mol, XLogP of 1.30, 3 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-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79207067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).