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'}

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Related Compounds

N-[(furan-2-yl)methyl]-2-methylfuran-3-carboxamide
CID 845080
3-[N-Butyl-1-(2,5-dimethylfuran-3-YL)formamido]-N-[(furan-2-YL)methyl]propanamide
CID 4420538
N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-hexylfuran-3-carboxamide
CID 4568907
5,6-Dihydrofuro[2,3-c]pyrrol-4-one
CID 55298926
N-cyclopropyl-N-(furan-2-ylmethyl)-2-methylfuran-3-carboxamide
CID 45872020
N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]furan-3-carboxamide
CID 45883965
2-Methyl-8-[5-(4-morpholinylmethyl)-3-furoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70726723
tert-butyl N-[(4-carbamoylfuran-2-yl)methyl]carbamate
CID 75481133
5-[(2,2,2-Trifluoro-acetylamino)methyl]furan-3-carboxylic acid methylamide
CID 10422204
5-[[(5-Methyl-furan-3-carbonyl)-amino]-methyl]-furan-3-carboxylic acid, ethyl ester
CID 573350
Ethyl 1-(2-furylmethyl)-4,5-dioxopyrrolidine-3-carboxylate
CID 2778688
N-carbamothioyl-N-(furan-2-ylmethyl)furan-3-carboxamide
CID 91126615

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).