2-(3-iminoinden-1-yl)-2-oxoacetamide

C11H8N2O2 — CID 89197620

IUPAC2-(3-iminoinden-1-yl)-2-oxoacetamide
SMILES[H]/N=C1\C=C(C(=O)C(N)=O)c2ccccc21
InChIInChI=1S/C11H8N2O2/c12-9-5-8(10(14)11(13)15)6-3-1-2-4-7(6)9/h1-5,12H,(H2,13,15)/b12-9+
InChIKeyKUHORRYYKWNCFW-FMIVXFBMSA-N
MW200.20 g/mol
LogP0.51
Rot. Bonds2

About 2-(3-iminoinden-1-yl)-2-oxoacetamide

2-(3-iminoinden-1-yl)-2-oxoacetamide (PubChem CID 89197620) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 2-(3-iminoinden-1-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(3-iminoinden-1-yl)-2-oxoacetamide
PubChem CID89197620
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name2-(3-iminoinden-1-yl)-2-oxoacetamide
SMILES[H]/N=C1\C=C(C(=O)C(N)=O)c2ccccc21
InChIInChI=1S/C11H8N2O2/c12-9-5-8(10(14)11(13)15)6-3-1-2-4-7(6)9/h1-5,12H,(H2,13,15)/b12-9+
InChIKeyKUHORRYYKWNCFW-FMIVXFBMSA-N
XLogP0.51
TPSA84.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-iminoinden-1-yl)-2-oxoacetamide?
The IUPAC name of 2-(3-iminoinden-1-yl)-2-oxoacetamide (CID 89197620) is 2-(3-iminoinden-1-yl)-2-oxoacetamide.
What is the SMILES notation for 2-(3-iminoinden-1-yl)-2-oxoacetamide?
The canonical SMILES for 2-(3-iminoinden-1-yl)-2-oxoacetamide is [H]/N=C1\C=C(C(=O)C(N)=O)c2ccccc21.
What is the InChIKey of 2-(3-iminoinden-1-yl)-2-oxoacetamide?
The InChIKey is KUHORRYYKWNCFW-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H8N2O2/c12-9-5-8(10(14)11(13)15)6-3-1-2-4-7(6)9/h1-5,12H,(H2,13,15)/b12-9+.
What are the key properties of 2-(3-iminoinden-1-yl)-2-oxoacetamide?
2-(3-iminoinden-1-yl)-2-oxoacetamide has a molecular weight of 200.20 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iminoinden-1-yl)-2-oxoacetamide is sourced from PubChem (CID 89197620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).