2-(2,3,3a,5a-tetrahydro-1H-benzo[g]indol-3-yl)-2-oxoacetamide

C14H14N2O2 — CID 22268695

IUPAC2-(2,3,3a,5a-tetrahydro-1H-benzo[g]indol-3-yl)-2-oxoacetamide
SMILESNC(=O)C(=O)C1CNC2=C3C=CC=CC3C=CC21
InChIInChI=1S/C14H14N2O2/c15-14(18)13(17)11-7-16-12-9-4-2-1-3-8(9)5-6-10(11)12/h1-6,8,10-11,16H,7H2,(H2,15,18)
InChIKeyKFXZAVGXECAVKD-UHFFFAOYSA-N
MW242.28 g/mol
LogP0.44
Rot. Bonds2

About 2-(2,3,3a,5a-tetrahydro-1H-benzo[g]indol-3-yl)-2-oxoacetamide

2-(2,3,3a,5a-tetrahydro-1H-benzo[g]indol-3-yl)-2-oxoacetamide (PubChem CID 22268695) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-(2,3,3a,5a-tetrahydro-1H-benzo[g]indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(2,3,3a,5a-tetrahydro-1H-benzo[g]indol-3-yl)-2-oxoacetamide
PubChem CID22268695
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-(2,3,3a,5a-tetrahydro-1H-benzo[g]indol-3-yl)-2-oxoacetamide
SMILESNC(=O)C(=O)C1CNC2=C3C=CC=CC3C=CC21
InChIInChI=1S/C14H14N2O2/c15-14(18)13(17)11-7-16-12-9-4-2-1-3-8(9)5-6-10(11)12/h1-6,8,10-11,16H,7H2,(H2,15,18)
InChIKeyKFXZAVGXECAVKD-UHFFFAOYSA-N
XLogP0.44
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,3,3a,5a-tetrahydro-1H-benzo[g]indol-3-yl)-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,5a-tetrahydro-1H-benzo[g]indol-3-yl)-2-oxoacetamide?
The IUPAC name of 2-(2,3,3a,5a-tetrahydro-1H-benzo[g]indol-3-yl)-2-oxoacetamide (CID 22268695) is 2-(2,3,3a,5a-tetrahydro-1H-benzo[g]indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for 2-(2,3,3a,5a-tetrahydro-1H-benzo[g]indol-3-yl)-2-oxoacetamide?
The canonical SMILES for 2-(2,3,3a,5a-tetrahydro-1H-benzo[g]indol-3-yl)-2-oxoacetamide is NC(=O)C(=O)C1CNC2=C3C=CC=CC3C=CC21.
What is the InChIKey of 2-(2,3,3a,5a-tetrahydro-1H-benzo[g]indol-3-yl)-2-oxoacetamide?
The InChIKey is KFXZAVGXECAVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c15-14(18)13(17)11-7-16-12-9-4-2-1-3-8(9)5-6-10(11)12/h1-6,8,10-11,16H,7H2,(H2,15,18).
What are the key properties of 2-(2,3,3a,5a-tetrahydro-1H-benzo[g]indol-3-yl)-2-oxoacetamide?
2-(2,3,3a,5a-tetrahydro-1H-benzo[g]indol-3-yl)-2-oxoacetamide has a molecular weight of 242.28 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,5a-tetrahydro-1H-benzo[g]indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 22268695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).