2-[2-(3H-inden-1-yl)hydrazinyl]-2-oxoacetamide

C11H11N3O2 — CID 2392794

IUPAC2-[2-(3H-inden-1-yl)hydrazinyl]-2-oxoacetamide
SMILESNC(=O)C(=O)NNC1=CCc2ccccc21
InChIInChI=1S/C11H11N3O2/c12-10(15)11(16)14-13-9-6-5-7-3-1-2-4-8(7)9/h1-4,6,13H,5H2,(H2,12,15)(H,14,16)
InChIKeySCICFQRKBDABDS-UHFFFAOYSA-N
MW217.23 g/mol
LogP-0.31
Rot. Bonds2

About 2-[2-(3H-inden-1-yl)hydrazinyl]-2-oxoacetamide

2-[2-(3H-inden-1-yl)hydrazinyl]-2-oxoacetamide (PubChem CID 2392794) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-[2-(3H-inden-1-yl)hydrazinyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-(3H-inden-1-yl)hydrazinyl]-2-oxoacetamide
PubChem CID2392794
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-[2-(3H-inden-1-yl)hydrazinyl]-2-oxoacetamide
SMILESNC(=O)C(=O)NNC1=CCc2ccccc21
InChIInChI=1S/C11H11N3O2/c12-10(15)11(16)14-13-9-6-5-7-3-1-2-4-8(7)9/h1-4,6,13H,5H2,(H2,12,15)(H,14,16)
InChIKeySCICFQRKBDABDS-UHFFFAOYSA-N
XLogP-0.31
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3H-inden-1-yl)hydrazinyl]-2-oxoacetamide?
The IUPAC name of 2-[2-(3H-inden-1-yl)hydrazinyl]-2-oxoacetamide (CID 2392794) is 2-[2-(3H-inden-1-yl)hydrazinyl]-2-oxoacetamide.
What is the SMILES notation for 2-[2-(3H-inden-1-yl)hydrazinyl]-2-oxoacetamide?
The canonical SMILES for 2-[2-(3H-inden-1-yl)hydrazinyl]-2-oxoacetamide is NC(=O)C(=O)NNC1=CCc2ccccc21.
What is the InChIKey of 2-[2-(3H-inden-1-yl)hydrazinyl]-2-oxoacetamide?
The InChIKey is SCICFQRKBDABDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c12-10(15)11(16)14-13-9-6-5-7-3-1-2-4-8(7)9/h1-4,6,13H,5H2,(H2,12,15)(H,14,16).
What are the key properties of 2-[2-(3H-inden-1-yl)hydrazinyl]-2-oxoacetamide?
2-[2-(3H-inden-1-yl)hydrazinyl]-2-oxoacetamide has a molecular weight of 217.23 g/mol, XLogP of -0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3H-inden-1-yl)hydrazinyl]-2-oxoacetamide is sourced from PubChem (CID 2392794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).