[2-(1H-indole-2-carbonyl)-1H-indol-5-yl] acetate

C19H14N2O3 — CID 5330546

IUPAC[2-(1H-indole-2-carbonyl)-1H-indol-5-yl] acetate
SMILESCC(=O)Oc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1
InChIInChI=1S/C19H14N2O3/c1-11(22)24-14-6-7-16-13(8-14)10-18(21-16)19(23)17-9-12-4-2-3-5-15(12)20-17/h2-10,20-21H,1H3
InChIKeyMCKSLUDHECENKP-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.81
Rot. Bonds3

About [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] acetate

[2-(1H-indole-2-carbonyl)-1H-indol-5-yl] acetate (PubChem CID 5330546) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] acetate.

Molecular Properties

Compound Name[2-(1H-indole-2-carbonyl)-1H-indol-5-yl] acetate
PubChem CID5330546
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name[2-(1H-indole-2-carbonyl)-1H-indol-5-yl] acetate
SMILESCC(=O)Oc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1
InChIInChI=1S/C19H14N2O3/c1-11(22)24-14-6-7-16-13(8-14)10-18(21-16)19(23)17-9-12-4-2-3-5-15(12)20-17/h2-10,20-21H,1H3
InChIKeyMCKSLUDHECENKP-UHFFFAOYSA-N
XLogP3.81
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] acetate?
The IUPAC name of [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] acetate (CID 5330546) is [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] acetate.
What is the SMILES notation for [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] acetate?
The canonical SMILES for [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] acetate is CC(=O)Oc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1.
What is the InChIKey of [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] acetate?
The InChIKey is MCKSLUDHECENKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c1-11(22)24-14-6-7-16-13(8-14)10-18(21-16)19(23)17-9-12-4-2-3-5-15(12)20-17/h2-10,20-21H,1H3.
What are the key properties of [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] acetate?
[2-(1H-indole-2-carbonyl)-1H-indol-5-yl] acetate has a molecular weight of 318.33 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] acetate is sourced from PubChem (CID 5330546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).