N-[(E)-furan-2-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide

C11H13N3O3 — CID 5341260

IUPACN-[(E)-furan-2-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESO=C(N/N=C/c1ccco1)C(=O)N1CCCC1
InChIInChI=1S/C11H13N3O3/c15-10(11(16)14-5-1-2-6-14)13-12-8-9-4-3-7-17-9/h3-4,7-8H,1-2,5-6H2,(H,13,15)/b12-8+
InChIKeyHXJMRWMPLOQBQQ-XYOKQWHBSA-N
MW235.24 g/mol
LogP0.35
Rot. Bonds2

About N-[(E)-furan-2-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide

N-[(E)-furan-2-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide (PubChem CID 5341260) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
PubChem CID5341260
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESO=C(N/N=C/c1ccco1)C(=O)N1CCCC1
InChIInChI=1S/C11H13N3O3/c15-10(11(16)14-5-1-2-6-14)13-12-8-9-4-3-7-17-9/h3-4,7-8H,1-2,5-6H2,(H,13,15)/b12-8+
InChIKeyHXJMRWMPLOQBQQ-XYOKQWHBSA-N
XLogP0.35
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991
N-cycloheptyl-N'-[(Z)-furan-2-ylmethylideneamino]oxamide
CID 126011096
N-[(2,3-dichlorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 2263908
N-[(E)-(4-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
CID 5333289
N-[(E)-(4-fluorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
CID 5333343
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
CID 94833488
(E)-N-[(E)-furan-2-ylmethylideneamino]-N'-[(Z)-furan-2-ylmethylideneamino]hex-3-enediamide
CID 45050499
N-[(E)-(3-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
CID 5335973
N,N'-bis(furan-2-ylmethylideneamino)decanediamide
CID 5226719
2-oxo-N-[(4-propan-2-ylphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide
CID 2244317
N-[(4-methoxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 3102338
N-(furan-2-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide
CID 791501

Frequently Asked Questions

What is the IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide (CID 5341260) is N-[(E)-furan-2-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide is O=C(N/N=C/c1ccco1)C(=O)N1CCCC1.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
The InChIKey is HXJMRWMPLOQBQQ-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H13N3O3/c15-10(11(16)14-5-1-2-6-14)13-12-8-9-4-3-7-17-9/h3-4,7-8H,1-2,5-6H2,(H,13,15)/b12-8+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
N-[(E)-furan-2-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide has a molecular weight of 235.24 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-2-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 5341260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).