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

C17H18N2O2 — CID 931189

IUPAC3-(2,3-dihydro-1H-inden-5-yloxymethyl)benzohydrazide
SMILESNNC(=O)c1cccc(COc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C17H18N2O2/c18-19-17(20)15-6-1-3-12(9-15)11-21-16-8-7-13-4-2-5-14(13)10-16/h1,3,6-10H,2,4-5,11,18H2,(H,19,20)
InChIKeyQWQKOQFUSUKFQR-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.36
Rot. Bonds4

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

3-(2,3-dihydro-1H-inden-5-yloxymethyl)benzohydrazide (PubChem CID 931189) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-yloxymethyl)benzohydrazide.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-yloxymethyl)benzohydrazide
PubChem CID931189
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name3-(2,3-dihydro-1H-inden-5-yloxymethyl)benzohydrazide
SMILESNNC(=O)c1cccc(COc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C17H18N2O2/c18-19-17(20)15-6-1-3-12(9-15)11-21-16-8-7-13-4-2-5-14(13)10-16/h1,3,6-10H,2,4-5,11,18H2,(H,19,20)
InChIKeyQWQKOQFUSUKFQR-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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Related Compounds

2H-1-Benzopyran-6-carboxylic acid, 3,4-dihydro-5-methyl-, 2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide
CID 10157484
4-(Benzyloxy)benzohydrazide
CID 1526486
Parp10/15-IN-3
CID 166597670
4-methoxy-N'-(phenylacetyl)benzohydrazide
CID 695069
4-[(Naphthalen-2-yloxy)methyl]benzohydrazide
CID 840751
3-[(4-Methoxyphenoxy)methyl]benzohydrazide
CID 843208
4-[[(2,3-Dihydro-1H-inden-5-yl)oxy]methyl]benzoic acid hydrazide
CID 844329
N-benzyl-3-[(2,3-dihydro-1H-inden-5-yloxy)methyl]benzamide
CID 2192753
N'-(5-methoxy-2,3-dihydro-1H-inden-1-ylidene)benzohydrazide
CID 5401104
4-((4-Methylbenzyl)oxy)benzohydrazide
CID 1490262
N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-3-ethoxy-2-methylbenzohydrazide
CID 9864771
2'-(4-Methoxybenzoyl)-1-naphthohydrazide
CID 96764

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-yloxymethyl)benzohydrazide?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-yloxymethyl)benzohydrazide (CID 931189) is 3-(2,3-dihydro-1H-inden-5-yloxymethyl)benzohydrazide.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-yloxymethyl)benzohydrazide?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-yloxymethyl)benzohydrazide is NNC(=O)c1cccc(COc2ccc3c(c2)CCC3)c1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-yloxymethyl)benzohydrazide?
The InChIKey is QWQKOQFUSUKFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c18-19-17(20)15-6-1-3-12(9-15)11-21-16-8-7-13-4-2-5-14(13)10-16/h1,3,6-10H,2,4-5,11,18H2,(H,19,20).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-yloxymethyl)benzohydrazide?
3-(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 3-(2,3-dihydro-1H-inden-5-yloxymethyl)benzohydrazide is sourced from PubChem (CID 931189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).