7-methyl-N-phenyl-1H-indole-2-carboxamide;rhenium;rubidium(1+)

C16H12N2ORbRe- — CID 166168014

IUPAC7-methyl-N-phenyl-1H-indole-2-carboxamide;rhenium;rubidium(1+)
SMILESCc1cccc2cc(C(=O)Nc3[c-]cc[c-]c3)[nH]c12.[Rb+].[Re]
InChIInChI=1S/C16H12N2O.Rb.Re/c1-11-6-5-7-12-10-14(18-15(11)12)16(19)17-13-8-3-2-4-9-13;;/h2-3,5-7,9-10,18H,1H3,(H,17,19);;/q-2;+1;
InChIKeyRBDDVECCWHKHQG-UHFFFAOYSA-N
MW519.96 g/mol
LogP0.33
Rot. Bonds2

About 7-methyl-N-phenyl-1H-indole-2-carboxamide;rhenium;rubidium(1+)

7-methyl-N-phenyl-1H-indole-2-carboxamide;rhenium;rubidium(1+) (PubChem CID 166168014) has the molecular formula C16H12N2ORbRe- and a molecular weight of 519.96 g/mol. Its IUPAC name is 7-methyl-N-phenyl-1H-indole-2-carboxamide;rhenium;rubidium(1+).

Molecular Properties

Compound Name7-methyl-N-phenyl-1H-indole-2-carboxamide;rhenium;rubidium(1+)
PubChem CID166168014
Molecular FormulaC16H12N2ORbRe-
Molecular Weight519.96 g/mol
Exact Mass519.96
IUPAC Name7-methyl-N-phenyl-1H-indole-2-carboxamide;rhenium;rubidium(1+)
SMILESCc1cccc2cc(C(=O)Nc3[c-]cc[c-]c3)[nH]c12.[Rb+].[Re]
InChIInChI=1S/C16H12N2O.Rb.Re/c1-11-6-5-7-12-10-14(18-15(11)12)16(19)17-13-8-3-2-4-9-13;;/h2-3,5-7,9-10,18H,1H3,(H,17,19);;/q-2;+1;
InChIKeyRBDDVECCWHKHQG-UHFFFAOYSA-N
XLogP0.33
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.96
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-phenyl-1H-indole-2-carboxamide;rhenium;rubidium(1+)?
The IUPAC name of 7-methyl-N-phenyl-1H-indole-2-carboxamide;rhenium;rubidium(1+) (CID 166168014) is 7-methyl-N-phenyl-1H-indole-2-carboxamide;rhenium;rubidium(1+).
What is the SMILES notation for 7-methyl-N-phenyl-1H-indole-2-carboxamide;rhenium;rubidium(1+)?
The canonical SMILES for 7-methyl-N-phenyl-1H-indole-2-carboxamide;rhenium;rubidium(1+) is Cc1cccc2cc(C(=O)Nc3[c-]cc[c-]c3)[nH]c12.[Rb+].[Re].
What is the InChIKey of 7-methyl-N-phenyl-1H-indole-2-carboxamide;rhenium;rubidium(1+)?
The InChIKey is RBDDVECCWHKHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O.Rb.Re/c1-11-6-5-7-12-10-14(18-15(11)12)16(19)17-13-8-3-2-4-9-13;;/h2-3,5-7,9-10,18H,1H3,(H,17,19);;/q-2;+1;.
What are the key properties of 7-methyl-N-phenyl-1H-indole-2-carboxamide;rhenium;rubidium(1+)?
7-methyl-N-phenyl-1H-indole-2-carboxamide;rhenium;rubidium(1+) has a molecular weight of 519.96 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-phenyl-1H-indole-2-carboxamide;rhenium;rubidium(1+) is sourced from PubChem (CID 166168014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).