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

C11H13N3O5 — CID 63577829

IUPAC4-[(3,5-dioxomorpholin-4-yl)methyl]-5-methylfuran-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1CN1C(=O)COCC1=O
InChIInChI=1S/C11H13N3O5/c1-6-7(2-8(19-6)11(17)13-12)3-14-9(15)4-18-5-10(14)16/h2H,3-5,12H2,1H3,(H,13,17)
InChIKeyIOFUSZCEZHRILP-UHFFFAOYSA-N
MW267.24 g/mol
LogP-0.92
Rot. Bonds3

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

4-[(3,5-dioxomorpholin-4-yl)methyl]-5-methylfuran-2-carbohydrazide (PubChem CID 63577829) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 4-[(3,5-dioxomorpholin-4-yl)methyl]-5-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name4-[(3,5-dioxomorpholin-4-yl)methyl]-5-methylfuran-2-carbohydrazide
PubChem CID63577829
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name4-[(3,5-dioxomorpholin-4-yl)methyl]-5-methylfuran-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1CN1C(=O)COCC1=O
InChIInChI=1S/C11H13N3O5/c1-6-7(2-8(19-6)11(17)13-12)3-14-9(15)4-18-5-10(14)16/h2H,3-5,12H2,1H3,(H,13,17)
InChIKeyIOFUSZCEZHRILP-UHFFFAOYSA-N
XLogP-0.92
TPSA114.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dioxomorpholin-4-yl)methyl]-5-methylfuran-2-carbohydrazide?
The IUPAC name of 4-[(3,5-dioxomorpholin-4-yl)methyl]-5-methylfuran-2-carbohydrazide (CID 63577829) is 4-[(3,5-dioxomorpholin-4-yl)methyl]-5-methylfuran-2-carbohydrazide.
What is the SMILES notation for 4-[(3,5-dioxomorpholin-4-yl)methyl]-5-methylfuran-2-carbohydrazide?
The canonical SMILES for 4-[(3,5-dioxomorpholin-4-yl)methyl]-5-methylfuran-2-carbohydrazide is Cc1oc(C(=O)NN)cc1CN1C(=O)COCC1=O.
What is the InChIKey of 4-[(3,5-dioxomorpholin-4-yl)methyl]-5-methylfuran-2-carbohydrazide?
The InChIKey is IOFUSZCEZHRILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c1-6-7(2-8(19-6)11(17)13-12)3-14-9(15)4-18-5-10(14)16/h2H,3-5,12H2,1H3,(H,13,17).
What are the key properties of 4-[(3,5-dioxomorpholin-4-yl)methyl]-5-methylfuran-2-carbohydrazide?
4-[(3,5-dioxomorpholin-4-yl)methyl]-5-methylfuran-2-carbohydrazide has a molecular weight of 267.24 g/mol, XLogP of -0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dioxomorpholin-4-yl)methyl]-5-methylfuran-2-carbohydrazide is sourced from PubChem (CID 63577829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).