5-methyl-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]furan-2-carbohydrazide

C13H13F3N2O3 — CID 3147002

IUPAC5-methyl-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]furan-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC2=C(C(=O)C(F)(F)F)CCC2)o1
InChIInChI=1S/C13H13F3N2O3/c1-7-5-6-10(21-7)12(20)18-17-9-4-2-3-8(9)11(19)13(14,15)16/h5-6,17H,2-4H2,1H3,(H,18,20)
InChIKeyGHEZUPRJPMJKHE-UHFFFAOYSA-N
MW302.25 g/mol
LogP2.39
Rot. Bonds4

About 5-methyl-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]furan-2-carbohydrazide

5-methyl-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]furan-2-carbohydrazide (PubChem CID 3147002) has the molecular formula C13H13F3N2O3 and a molecular weight of 302.25 g/mol. Its IUPAC name is 5-methyl-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-methyl-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]furan-2-carbohydrazide
PubChem CID3147002
Molecular FormulaC13H13F3N2O3
Molecular Weight302.25 g/mol
Exact Mass302.09
IUPAC Name5-methyl-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]furan-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC2=C(C(=O)C(F)(F)F)CCC2)o1
InChIInChI=1S/C13H13F3N2O3/c1-7-5-6-10(21-7)12(20)18-17-9-4-2-3-8(9)11(19)13(14,15)16/h5-6,17H,2-4H2,1H3,(H,18,20)
InChIKeyGHEZUPRJPMJKHE-UHFFFAOYSA-N
XLogP2.39
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]furan-2-carbohydrazide?
The IUPAC name of 5-methyl-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]furan-2-carbohydrazide (CID 3147002) is 5-methyl-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]furan-2-carbohydrazide.
What is the SMILES notation for 5-methyl-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]furan-2-carbohydrazide?
The canonical SMILES for 5-methyl-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]furan-2-carbohydrazide is Cc1ccc(C(=O)NNC2=C(C(=O)C(F)(F)F)CCC2)o1.
What is the InChIKey of 5-methyl-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]furan-2-carbohydrazide?
The InChIKey is GHEZUPRJPMJKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O3/c1-7-5-6-10(21-7)12(20)18-17-9-4-2-3-8(9)11(19)13(14,15)16/h5-6,17H,2-4H2,1H3,(H,18,20).
What are the key properties of 5-methyl-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]furan-2-carbohydrazide?
5-methyl-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]furan-2-carbohydrazide has a molecular weight of 302.25 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]furan-2-carbohydrazide is sourced from PubChem (CID 3147002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).