1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride

C10H10ClNO3 — CID 50873925

IUPAC1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride
SMILESO=C(Cl)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C10H10ClNO3/c11-10(14)7-4-9(13)12(5-7)6-8-2-1-3-15-8/h1-3,7H,4-6H2
InChIKeyOASUVEDDTKLPJI-UHFFFAOYSA-N
MW227.65 g/mol
LogP1.39
Rot. Bonds3

About 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride

1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride (PubChem CID 50873925) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride
PubChem CID50873925
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Name1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride
SMILESO=C(Cl)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C10H10ClNO3/c11-10(14)7-4-9(13)12(5-7)6-8-2-1-3-15-8/h1-3,7H,4-6H2
InChIKeyOASUVEDDTKLPJI-UHFFFAOYSA-N
XLogP1.39
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride with MolForge

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

Launch Full Analysis

Related Compounds

methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 42579834
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
N-(2,6-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 113183148
phenyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 8765226
N-cyclopentyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47100703
N-(3,5-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55341921
(3R)-1-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39314628
N'-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
CID 17232608
(3R)-N-(4-fluorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 6931900
(3,4-dichlorophenyl)methyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7577913
(3R)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 99730752
1-(furan-2-ylmethyl)-4-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55950449

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride?
The IUPAC name of 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride (CID 50873925) is 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride.
What is the SMILES notation for 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride?
The canonical SMILES for 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride is O=C(Cl)C1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride?
The InChIKey is OASUVEDDTKLPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c11-10(14)7-4-9(13)12(5-7)6-8-2-1-3-15-8/h1-3,7H,4-6H2.
What are the key properties of 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride?
1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride has a molecular weight of 227.65 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride is sourced from PubChem (CID 50873925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).