N-[[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]imino]cyclopropanecarboxamide

C13H10F3N3O2 — CID 136867777

IUPACN-[[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]imino]cyclopropanecarboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccc(C(F)(F)F)cc12)C1CC1
InChIInChI=1S/C13H10F3N3O2/c14-13(15,16)7-3-4-9-8(5-7)10(12(21)17-9)18-19-11(20)6-1-2-6/h3-6,17,21H,1-2H2/b19-18+
InChIKeyUPZUVDWNIPWDTK-VHEBQXMUSA-N
MW297.24 g/mol
LogP3.91
Rot. Bonds2

About N-[[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]imino]cyclopropanecarboxamide

N-[[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]imino]cyclopropanecarboxamide (PubChem CID 136867777) has the molecular formula C13H10F3N3O2 and a molecular weight of 297.24 g/mol. Its IUPAC name is N-[[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]imino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]imino]cyclopropanecarboxamide
PubChem CID136867777
Molecular FormulaC13H10F3N3O2
Molecular Weight297.24 g/mol
Exact Mass297.07
IUPAC NameN-[[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]imino]cyclopropanecarboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccc(C(F)(F)F)cc12)C1CC1
InChIInChI=1S/C13H10F3N3O2/c14-13(15,16)7-3-4-9-8(5-7)10(12(21)17-9)18-19-11(20)6-1-2-6/h3-6,17,21H,1-2H2/b19-18+
InChIKeyUPZUVDWNIPWDTK-VHEBQXMUSA-N
XLogP3.91
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]imino]cyclopropanecarboxamide?
The IUPAC name of N-[[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]imino]cyclopropanecarboxamide (CID 136867777) is N-[[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]imino]cyclopropanecarboxamide.
What is the SMILES notation for N-[[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]imino]cyclopropanecarboxamide?
The canonical SMILES for N-[[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]imino]cyclopropanecarboxamide is O=C(/N=N/c1c(O)[nH]c2ccc(C(F)(F)F)cc12)C1CC1.
What is the InChIKey of N-[[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]imino]cyclopropanecarboxamide?
The InChIKey is UPZUVDWNIPWDTK-VHEBQXMUSA-N. The full InChI is InChI=1S/C13H10F3N3O2/c14-13(15,16)7-3-4-9-8(5-7)10(12(21)17-9)18-19-11(20)6-1-2-6/h3-6,17,21H,1-2H2/b19-18+.
What are the key properties of N-[[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]imino]cyclopropanecarboxamide?
N-[[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]imino]cyclopropanecarboxamide has a molecular weight of 297.24 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]imino]cyclopropanecarboxamide is sourced from PubChem (CID 136867777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).