4-[(3-methylmorpholin-4-yl)methyl]benzohydrazide

C13H19N3O2 — CID 63574051

IUPAC4-[(3-methylmorpholin-4-yl)methyl]benzohydrazide
SMILESCC1COCCN1Cc1ccc(C(=O)NN)cc1
InChIInChI=1S/C13H19N3O2/c1-10-9-18-7-6-16(10)8-11-2-4-12(5-3-11)13(17)15-14/h2-5,10H,6-9,14H2,1H3,(H,15,17)
InChIKeyQSNAYVPSWLLLEA-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.51
Rot. Bonds3

About 4-[(3-methylmorpholin-4-yl)methyl]benzohydrazide

4-[(3-methylmorpholin-4-yl)methyl]benzohydrazide (PubChem CID 63574051) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-[(3-methylmorpholin-4-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name4-[(3-methylmorpholin-4-yl)methyl]benzohydrazide
PubChem CID63574051
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-[(3-methylmorpholin-4-yl)methyl]benzohydrazide
SMILESCC1COCCN1Cc1ccc(C(=O)NN)cc1
InChIInChI=1S/C13H19N3O2/c1-10-9-18-7-6-16(10)8-11-2-4-12(5-3-11)13(17)15-14/h2-5,10H,6-9,14H2,1H3,(H,15,17)
InChIKeyQSNAYVPSWLLLEA-UHFFFAOYSA-N
XLogP0.51
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(3-methylmorpholin-4-yl)methyl]benzohydrazide?
The IUPAC name of 4-[(3-methylmorpholin-4-yl)methyl]benzohydrazide (CID 63574051) is 4-[(3-methylmorpholin-4-yl)methyl]benzohydrazide.
What is the SMILES notation for 4-[(3-methylmorpholin-4-yl)methyl]benzohydrazide?
The canonical SMILES for 4-[(3-methylmorpholin-4-yl)methyl]benzohydrazide is CC1COCCN1Cc1ccc(C(=O)NN)cc1.
What is the InChIKey of 4-[(3-methylmorpholin-4-yl)methyl]benzohydrazide?
The InChIKey is QSNAYVPSWLLLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-9-18-7-6-16(10)8-11-2-4-12(5-3-11)13(17)15-14/h2-5,10H,6-9,14H2,1H3,(H,15,17).
What are the key properties of 4-[(3-methylmorpholin-4-yl)methyl]benzohydrazide?
4-[(3-methylmorpholin-4-yl)methyl]benzohydrazide has a molecular weight of 249.31 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylmorpholin-4-yl)methyl]benzohydrazide is sourced from PubChem (CID 63574051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).