3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)benzohydrazide

C17H19N3O — CID 2875195

IUPAC3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)benzohydrazide
SMILESCc1cc2c(cc1C)CN(c1cccc(C(=O)NN)c1)C2
InChIInChI=1S/C17H19N3O/c1-11-6-14-9-20(10-15(14)7-12(11)2)16-5-3-4-13(8-16)17(21)19-18/h3-8H,9-10,18H2,1-2H3,(H,19,21)
InChIKeyGWHAMANEYVTFJP-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.43
Rot. Bonds2

About 3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)benzohydrazide

3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)benzohydrazide (PubChem CID 2875195) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)benzohydrazide.

Molecular Properties

Compound Name3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)benzohydrazide
PubChem CID2875195
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)benzohydrazide
SMILESCc1cc2c(cc1C)CN(c1cccc(C(=O)NN)c1)C2
InChIInChI=1S/C17H19N3O/c1-11-6-14-9-20(10-15(14)7-12(11)2)16-5-3-4-13(8-16)17(21)19-18/h3-8H,9-10,18H2,1-2H3,(H,19,21)
InChIKeyGWHAMANEYVTFJP-UHFFFAOYSA-N
XLogP2.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)benzohydrazide?
The IUPAC name of 3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)benzohydrazide (CID 2875195) is 3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)benzohydrazide.
What is the SMILES notation for 3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)benzohydrazide?
The canonical SMILES for 3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)benzohydrazide is Cc1cc2c(cc1C)CN(c1cccc(C(=O)NN)c1)C2.
What is the InChIKey of 3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)benzohydrazide?
The InChIKey is GWHAMANEYVTFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11-6-14-9-20(10-15(14)7-12(11)2)16-5-3-4-13(8-16)17(21)19-18/h3-8H,9-10,18H2,1-2H3,(H,19,21).
What are the key properties of 3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)benzohydrazide?
3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)benzohydrazide has a molecular weight of 281.36 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)benzohydrazide is sourced from PubChem (CID 2875195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).