3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carbohydrazide

C13H21N3O3 — CID 63578733

IUPAC3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carbohydrazide
SMILESCCC1COC(C)CN1Cc1ccoc1C(=O)NN
InChIInChI=1S/C13H21N3O3/c1-3-11-8-19-9(2)6-16(11)7-10-4-5-18-12(10)13(17)15-14/h4-5,9,11H,3,6-8,14H2,1-2H3,(H,15,17)
InChIKeyJFKKXNUAQSOLQC-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.88
Rot. Bonds4

About 3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carbohydrazide

3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carbohydrazide (PubChem CID 63578733) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carbohydrazide
PubChem CID63578733
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carbohydrazide
SMILESCCC1COC(C)CN1Cc1ccoc1C(=O)NN
InChIInChI=1S/C13H21N3O3/c1-3-11-8-19-9(2)6-16(11)7-10-4-5-18-12(10)13(17)15-14/h4-5,9,11H,3,6-8,14H2,1-2H3,(H,15,17)
InChIKeyJFKKXNUAQSOLQC-UHFFFAOYSA-N
XLogP0.88
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.88
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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Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carbohydrazide?
The IUPAC name of 3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carbohydrazide (CID 63578733) is 3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carbohydrazide is CCC1COC(C)CN1Cc1ccoc1C(=O)NN.
What is the InChIKey of 3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carbohydrazide?
The InChIKey is JFKKXNUAQSOLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-11-8-19-9(2)6-16(11)7-10-4-5-18-12(10)13(17)15-14/h4-5,9,11H,3,6-8,14H2,1-2H3,(H,15,17).
What are the key properties of 3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carbohydrazide?
3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carbohydrazide has a molecular weight of 267.33 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63578733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).