4-(2,3-dihydro-1H-inden-5-yloxymethyl)benzohydrazide

C17H18N2O2 — CID 844329

IUPAC4-(2,3-dihydro-1H-inden-5-yloxymethyl)benzohydrazide
SMILESNNC(=O)c1ccc(COc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C17H18N2O2/c18-19-17(20)14-6-4-12(5-7-14)11-21-16-9-8-13-2-1-3-15(13)10-16/h4-10H,1-3,11,18H2,(H,19,20)
InChIKeyBDZPNMZNYLJNKG-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.36
Rot. Bonds4

About 4-(2,3-dihydro-1H-inden-5-yloxymethyl)benzohydrazide

4-(2,3-dihydro-1H-inden-5-yloxymethyl)benzohydrazide (PubChem CID 844329) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yloxymethyl)benzohydrazide.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yloxymethyl)benzohydrazide
PubChem CID844329
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-(2,3-dihydro-1H-inden-5-yloxymethyl)benzohydrazide
SMILESNNC(=O)c1ccc(COc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C17H18N2O2/c18-19-17(20)14-6-4-12(5-7-14)11-21-16-9-8-13-2-1-3-15(13)10-16/h4-10H,1-3,11,18H2,(H,19,20)
InChIKeyBDZPNMZNYLJNKG-UHFFFAOYSA-N
XLogP2.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.36
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 4-(2,3-dihydro-1H-inden-5-yloxymethyl)benzohydrazide?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)benzohydrazide (CID 844329) is 4-(2,3-dihydro-1H-inden-5-yloxymethyl)benzohydrazide.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)benzohydrazide?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)benzohydrazide is NNC(=O)c1ccc(COc2ccc3c(c2)CCC3)cc1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)benzohydrazide?
The InChIKey is BDZPNMZNYLJNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c18-19-17(20)14-6-4-12(5-7-14)11-21-16-9-8-13-2-1-3-15(13)10-16/h4-10H,1-3,11,18H2,(H,19,20).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)benzohydrazide?
4-(2,3-dihydro-1H-inden-5-yloxymethyl)benzohydrazide has a molecular weight of 282.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)benzohydrazide is sourced from PubChem (CID 844329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).