2-(2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide

C13H14N2O3 — CID 5078536

IUPAC2-(2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1C(=O)C(=O)c2ccccc21
InChIInChI=1S/C13H14N2O3/c1-8(2)14-11(16)7-15-10-6-4-3-5-9(10)12(17)13(15)18/h3-6,8H,7H2,1-2H3,(H,14,16)
InChIKeyDSDSDPONNVTCMU-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.74
Rot. Bonds3

About 2-(2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide

2-(2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide (PubChem CID 5078536) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide
PubChem CID5078536
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-(2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1C(=O)C(=O)c2ccccc21
InChIInChI=1S/C13H14N2O3/c1-8(2)14-11(16)7-15-10-6-4-3-5-9(10)12(17)13(15)18/h3-6,8H,7H2,1-2H3,(H,14,16)
InChIKeyDSDSDPONNVTCMU-UHFFFAOYSA-N
XLogP0.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide (CID 5078536) is 2-(2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)CN1C(=O)C(=O)c2ccccc21.
What is the InChIKey of 2-(2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide?
The InChIKey is DSDSDPONNVTCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8(2)14-11(16)7-15-10-6-4-3-5-9(10)12(17)13(15)18/h3-6,8H,7H2,1-2H3,(H,14,16).
What are the key properties of 2-(2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide?
2-(2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide has a molecular weight of 246.27 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 5078536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).