5-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide

C13H17N3O4 — CID 63581288

IUPAC5-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide
SMILESCC1(C)CC(=O)N(Cc2cc(C(=O)NN)co2)C(=O)C1
InChIInChI=1S/C13H17N3O4/c1-13(2)4-10(17)16(11(18)5-13)6-9-3-8(7-20-9)12(19)15-14/h3,7H,4-6,14H2,1-2H3,(H,15,19)
InChIKeyJJFRGNQPQCDTIJ-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.56
Rot. Bonds3

About 5-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide

5-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide (PubChem CID 63581288) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide
PubChem CID63581288
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name5-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide
SMILESCC1(C)CC(=O)N(Cc2cc(C(=O)NN)co2)C(=O)C1
InChIInChI=1S/C13H17N3O4/c1-13(2)4-10(17)16(11(18)5-13)6-9-3-8(7-20-9)12(19)15-14/h3,7H,4-6,14H2,1-2H3,(H,15,19)
InChIKeyJJFRGNQPQCDTIJ-UHFFFAOYSA-N
XLogP0.56
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.56
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide?
The IUPAC name of 5-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide (CID 63581288) is 5-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide is CC1(C)CC(=O)N(Cc2cc(C(=O)NN)co2)C(=O)C1.
What is the InChIKey of 5-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide?
The InChIKey is JJFRGNQPQCDTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-13(2)4-10(17)16(11(18)5-13)6-9-3-8(7-20-9)12(19)15-14/h3,7H,4-6,14H2,1-2H3,(H,15,19).
What are the key properties of 5-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide?
5-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide has a molecular weight of 279.30 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63581288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).