2-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-3-carbohydrazide

C13H21N3O3 — CID 63583097

IUPAC2-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-3-carbohydrazide
SMILESCC1CN(Cc2occc2C(=O)NN)CC(C)(C)O1
InChIInChI=1S/C13H21N3O3/c1-9-6-16(8-13(2,3)19-9)7-11-10(4-5-18-11)12(17)15-14/h4-5,9H,6-8,14H2,1-3H3,(H,15,17)
InChIKeyQKMFOMWHDINSDQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.88
Rot. Bonds3

About 2-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-3-carbohydrazide

2-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-3-carbohydrazide (PubChem CID 63583097) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-3-carbohydrazide
PubChem CID63583097
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-3-carbohydrazide
SMILESCC1CN(Cc2occc2C(=O)NN)CC(C)(C)O1
InChIInChI=1S/C13H21N3O3/c1-9-6-16(8-13(2,3)19-9)7-11-10(4-5-18-11)12(17)15-14/h4-5,9H,6-8,14H2,1-3H3,(H,15,17)
InChIKeyQKMFOMWHDINSDQ-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
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 2-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-3-carbohydrazide?
The IUPAC name of 2-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-3-carbohydrazide (CID 63583097) is 2-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-3-carbohydrazide is CC1CN(Cc2occc2C(=O)NN)CC(C)(C)O1.
What is the InChIKey of 2-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-3-carbohydrazide?
The InChIKey is QKMFOMWHDINSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9-6-16(8-13(2,3)19-9)7-11-10(4-5-18-11)12(17)15-14/h4-5,9H,6-8,14H2,1-3H3,(H,15,17).
What are the key properties of 2-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-3-carbohydrazide?
2-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-3-carbohydrazide has a molecular weight of 267.33 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63583097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).