5-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methylfuran-2-carbohydrazide

C13H21N3O3 — CID 55213233

IUPAC5-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methylfuran-2-carbohydrazide
SMILESCc1cc(CN2CC(C)OC(C)C2)oc1C(=O)NN
InChIInChI=1S/C13H21N3O3/c1-8-4-11(19-12(8)13(17)15-14)7-16-5-9(2)18-10(3)6-16/h4,9-10H,5-7,14H2,1-3H3,(H,15,17)
InChIKeyZULYTXWCWPQUST-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.80
Rot. Bonds3

About 5-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methylfuran-2-carbohydrazide

5-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methylfuran-2-carbohydrazide (PubChem CID 55213233) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name5-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methylfuran-2-carbohydrazide
PubChem CID55213233
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name5-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methylfuran-2-carbohydrazide
SMILESCc1cc(CN2CC(C)OC(C)C2)oc1C(=O)NN
InChIInChI=1S/C13H21N3O3/c1-8-4-11(19-12(8)13(17)15-14)7-16-5-9(2)18-10(3)6-16/h4,9-10H,5-7,14H2,1-3H3,(H,15,17)
InChIKeyZULYTXWCWPQUST-UHFFFAOYSA-N
XLogP0.80
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-carbohydrazide
CID 114540671
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-methylfuran-2-carbohydrazide
CID 115562526
3-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide
CID 63572859
5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carbohydrazide
CID 63571130
1-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 63585162
5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide
CID 63572468
3-methyl-5-[(3-oxo-1,4-diazepan-1-yl)methyl]furan-2-carbohydrazide
CID 65366701
3-methyl-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
CID 63578343
5-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-3-methylfuran-2-carbohydrazide
CID 63571845
3-methyl-5-(methylsulfanylmethyl)furan-2-carbohydrazide
CID 63581814
3-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 43621030
5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide
CID 63572055

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methylfuran-2-carbohydrazide?
The IUPAC name of 5-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methylfuran-2-carbohydrazide (CID 55213233) is 5-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methylfuran-2-carbohydrazide.
What is the SMILES notation for 5-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methylfuran-2-carbohydrazide?
The canonical SMILES for 5-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methylfuran-2-carbohydrazide is Cc1cc(CN2CC(C)OC(C)C2)oc1C(=O)NN.
What is the InChIKey of 5-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methylfuran-2-carbohydrazide?
The InChIKey is ZULYTXWCWPQUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-8-4-11(19-12(8)13(17)15-14)7-16-5-9(2)18-10(3)6-16/h4,9-10H,5-7,14H2,1-3H3,(H,15,17).
What are the key properties of 5-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methylfuran-2-carbohydrazide?
5-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methylfuran-2-carbohydrazide has a molecular weight of 267.33 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methylfuran-2-carbohydrazide is sourced from PubChem (CID 55213233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).