1-phenacylindole-2-carboxylic acid

C17H13NO3 — CID 6484316

IUPAC1-phenacylindole-2-carboxylic acid
SMILESO=C(Cn1c(C(=O)O)cc2ccccc21)c1ccccc1
InChIInChI=1S/C17H13NO3/c19-16(12-6-2-1-3-7-12)11-18-14-9-5-4-8-13(14)10-15(18)17(20)21/h1-10H,11H2,(H,20,21)
InChIKeyCZQKISAERLUEJE-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.22
Rot. Bonds4

About 1-phenacylindole-2-carboxylic acid

1-phenacylindole-2-carboxylic acid (PubChem CID 6484316) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-phenacylindole-2-carboxylic acid.

Molecular Properties

Compound Name1-phenacylindole-2-carboxylic acid
PubChem CID6484316
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name1-phenacylindole-2-carboxylic acid
SMILESO=C(Cn1c(C(=O)O)cc2ccccc21)c1ccccc1
InChIInChI=1S/C17H13NO3/c19-16(12-6-2-1-3-7-12)11-18-14-9-5-4-8-13(14)10-15(18)17(20)21/h1-10H,11H2,(H,20,21)
InChIKeyCZQKISAERLUEJE-UHFFFAOYSA-N
XLogP3.22
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenacylindole-2-carboxylic acid?
The IUPAC name of 1-phenacylindole-2-carboxylic acid (CID 6484316) is 1-phenacylindole-2-carboxylic acid.
What is the SMILES notation for 1-phenacylindole-2-carboxylic acid?
The canonical SMILES for 1-phenacylindole-2-carboxylic acid is O=C(Cn1c(C(=O)O)cc2ccccc21)c1ccccc1.
What is the InChIKey of 1-phenacylindole-2-carboxylic acid?
The InChIKey is CZQKISAERLUEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c19-16(12-6-2-1-3-7-12)11-18-14-9-5-4-8-13(14)10-15(18)17(20)21/h1-10H,11H2,(H,20,21).
What are the key properties of 1-phenacylindole-2-carboxylic acid?
1-phenacylindole-2-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenacylindole-2-carboxylic acid is sourced from PubChem (CID 6484316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).