5-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-3-carbohydrazide

C10H11N3O4 — CID 63571860

IUPAC5-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(CN2C(=O)CCC2=O)c1
InChIInChI=1S/C10H11N3O4/c11-12-10(16)6-3-7(17-5-6)4-13-8(14)1-2-9(13)15/h3,5H,1-2,4,11H2,(H,12,16)
InChIKeyCIAMEMJMXNHISJ-UHFFFAOYSA-N
MW237.21 g/mol
LogP-0.47
Rot. Bonds3

About 5-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-3-carbohydrazide

5-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-3-carbohydrazide (PubChem CID 63571860) has the molecular formula C10H11N3O4 and a molecular weight of 237.21 g/mol. Its IUPAC name is 5-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-3-carbohydrazide
PubChem CID63571860
Molecular FormulaC10H11N3O4
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name5-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(CN2C(=O)CCC2=O)c1
InChIInChI=1S/C10H11N3O4/c11-12-10(16)6-3-7(17-5-6)4-13-8(14)1-2-9(13)15/h3,5H,1-2,4,11H2,(H,12,16)
InChIKeyCIAMEMJMXNHISJ-UHFFFAOYSA-N
XLogP-0.47
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 5-0.47
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'}

Analyze 5-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-3-carbohydrazide?
The IUPAC name of 5-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-3-carbohydrazide (CID 63571860) is 5-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-3-carbohydrazide is NNC(=O)c1coc(CN2C(=O)CCC2=O)c1.
What is the InChIKey of 5-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-3-carbohydrazide?
The InChIKey is CIAMEMJMXNHISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c11-12-10(16)6-3-7(17-5-6)4-13-8(14)1-2-9(13)15/h3,5H,1-2,4,11H2,(H,12,16).
What are the key properties of 5-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-3-carbohydrazide?
5-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-3-carbohydrazide has a molecular weight of 237.21 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63571860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).