indene-1,2,3-trione;2-methylbenzohydrazide;hydrate

C17H16N2O5 — CID 19034309

IUPACindene-1,2,3-trione;2-methylbenzohydrazide;hydrate
SMILESCc1ccccc1C(=O)NN.O.O=c1c(=O)c2ccccc2c1=O
InChIInChI=1S/C9H4O3.C8H10N2O.H2O/c10-7-5-3-1-2-4-6(5)8(11)9(7)12;1-6-4-2-3-5-7(6)8(11)10-9;/h1-4H;2-5H,9H2,1H3,(H,10,11);1H2
InChIKeyOWPMGWCNDBEILZ-UHFFFAOYSA-N
MW328.32 g/mol
LogP-0.43
Rot. Bonds1

About indene-1,2,3-trione;2-methylbenzohydrazide;hydrate

indene-1,2,3-trione;2-methylbenzohydrazide;hydrate (PubChem CID 19034309) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is indene-1,2,3-trione;2-methylbenzohydrazide;hydrate.

Molecular Properties

Compound Nameindene-1,2,3-trione;2-methylbenzohydrazide;hydrate
PubChem CID19034309
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Nameindene-1,2,3-trione;2-methylbenzohydrazide;hydrate
SMILESCc1ccccc1C(=O)NN.O.O=c1c(=O)c2ccccc2c1=O
InChIInChI=1S/C9H4O3.C8H10N2O.H2O/c10-7-5-3-1-2-4-6(5)8(11)9(7)12;1-6-4-2-3-5-7(6)8(11)10-9;/h1-4H;2-5H,9H2,1H3,(H,10,11);1H2
InChIKeyOWPMGWCNDBEILZ-UHFFFAOYSA-N
XLogP-0.43
TPSA137.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethylbenzohydrazide
CID 16790549
indene-1,2,3-trione;1H-pyrrole-2-carbohydrazide;hydrate
CID 23187753
acetic acid;benzene-1,2-dicarbohydrazide
CID 174566374
N-(hydroxymethyl)-2-methylbenzamide
CID 5234338
N-[(4-aminophenyl)methyl]-2-methylbenzamide
CID 60892796
2-[3-[2-(hydrazinecarbonyl)phenyl]-3-oxopropanoyl]benzohydrazide
CID 141301620
2-acetylbenzohydrazide;hydrochloride
CID 175815383
1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide
CID 4630875
ethane;N-(2-hydroxyethyl)-2-methylbenzamide
CID 143093743
N-[(dimethylamino)methyl]-2-methylbenzamide
CID 67624413
N-ethylsulfonyl-2-methylbenzamide
CID 18331687
bis(2-methylbenzoic acid);hydrate
CID 69398343

Frequently Asked Questions

What is the IUPAC name of indene-1,2,3-trione;2-methylbenzohydrazide;hydrate?
The IUPAC name of indene-1,2,3-trione;2-methylbenzohydrazide;hydrate (CID 19034309) is indene-1,2,3-trione;2-methylbenzohydrazide;hydrate.
What is the SMILES notation for indene-1,2,3-trione;2-methylbenzohydrazide;hydrate?
The canonical SMILES for indene-1,2,3-trione;2-methylbenzohydrazide;hydrate is Cc1ccccc1C(=O)NN.O.O=c1c(=O)c2ccccc2c1=O.
What is the InChIKey of indene-1,2,3-trione;2-methylbenzohydrazide;hydrate?
The InChIKey is OWPMGWCNDBEILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4O3.C8H10N2O.H2O/c10-7-5-3-1-2-4-6(5)8(11)9(7)12;1-6-4-2-3-5-7(6)8(11)10-9;/h1-4H;2-5H,9H2,1H3,(H,10,11);1H2.
What are the key properties of indene-1,2,3-trione;2-methylbenzohydrazide;hydrate?
indene-1,2,3-trione;2-methylbenzohydrazide;hydrate has a molecular weight of 328.32 g/mol, XLogP of -0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for indene-1,2,3-trione;2-methylbenzohydrazide;hydrate is sourced from PubChem (CID 19034309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).