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

C13H17N3O4 — CID 63581105

IUPAC2-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide
SMILESCC1(C)CC(=O)N(Cc2occc2C(=O)NN)C(=O)C1
InChIInChI=1S/C13H17N3O4/c1-13(2)5-10(17)16(11(18)6-13)7-9-8(3-4-20-9)12(19)15-14/h3-4H,5-7,14H2,1-2H3,(H,15,19)
InChIKeyCNTMEIQEPUQOKO-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.56
Rot. Bonds3

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

2-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide (PubChem CID 63581105) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide
PubChem CID63581105
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide
SMILESCC1(C)CC(=O)N(Cc2occc2C(=O)NN)C(=O)C1
InChIInChI=1S/C13H17N3O4/c1-13(2)5-10(17)16(11(18)6-13)7-9-8(3-4-20-9)12(19)15-14/h3-4H,5-7,14H2,1-2H3,(H,15,19)
InChIKeyCNTMEIQEPUQOKO-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 2-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide?
The IUPAC name of 2-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide (CID 63581105) is 2-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide is CC1(C)CC(=O)N(Cc2occc2C(=O)NN)C(=O)C1.
What is the InChIKey of 2-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide?
The InChIKey is CNTMEIQEPUQOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-13(2)5-10(17)16(11(18)6-13)7-9-8(3-4-20-9)12(19)15-14/h3-4H,5-7,14H2,1-2H3,(H,15,19).
What are the key properties of 2-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide?
2-[(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 2-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63581105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).