N'-acetyl-N'-(2,3-dihydro-1H-inden-5-yl)acetohydrazide

C13H16N2O2 — CID 67418484

IUPACN'-acetyl-N'-(2,3-dihydro-1H-inden-5-yl)acetohydrazide
SMILESCC(=O)NN(C(C)=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H16N2O2/c1-9(16)14-15(10(2)17)13-7-6-11-4-3-5-12(11)8-13/h6-8H,3-5H2,1-2H3,(H,14,16)
InChIKeyWRRABOKMPQPCEQ-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.58
Rot. Bonds1

About N'-acetyl-N'-(2,3-dihydro-1H-inden-5-yl)acetohydrazide

N'-acetyl-N'-(2,3-dihydro-1H-inden-5-yl)acetohydrazide (PubChem CID 67418484) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N'-acetyl-N'-(2,3-dihydro-1H-inden-5-yl)acetohydrazide.

Molecular Properties

Compound NameN'-acetyl-N'-(2,3-dihydro-1H-inden-5-yl)acetohydrazide
PubChem CID67418484
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN'-acetyl-N'-(2,3-dihydro-1H-inden-5-yl)acetohydrazide
SMILESCC(=O)NN(C(C)=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H16N2O2/c1-9(16)14-15(10(2)17)13-7-6-11-4-3-5-12(11)8-13/h6-8H,3-5H2,1-2H3,(H,14,16)
InChIKeyWRRABOKMPQPCEQ-UHFFFAOYSA-N
XLogP1.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-acetyl-N'-(2,3-dihydro-1H-inden-5-yl)acetohydrazide?
The IUPAC name of N'-acetyl-N'-(2,3-dihydro-1H-inden-5-yl)acetohydrazide (CID 67418484) is N'-acetyl-N'-(2,3-dihydro-1H-inden-5-yl)acetohydrazide.
What is the SMILES notation for N'-acetyl-N'-(2,3-dihydro-1H-inden-5-yl)acetohydrazide?
The canonical SMILES for N'-acetyl-N'-(2,3-dihydro-1H-inden-5-yl)acetohydrazide is CC(=O)NN(C(C)=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N'-acetyl-N'-(2,3-dihydro-1H-inden-5-yl)acetohydrazide?
The InChIKey is WRRABOKMPQPCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(16)14-15(10(2)17)13-7-6-11-4-3-5-12(11)8-13/h6-8H,3-5H2,1-2H3,(H,14,16).
What are the key properties of N'-acetyl-N'-(2,3-dihydro-1H-inden-5-yl)acetohydrazide?
N'-acetyl-N'-(2,3-dihydro-1H-inden-5-yl)acetohydrazide has a molecular weight of 232.28 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-N'-(2,3-dihydro-1H-inden-5-yl)acetohydrazide is sourced from PubChem (CID 67418484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).