cyclohex-3-en-1-ylmethyl 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate

C17H21NO4 — CID 78780948

IUPACcyclohex-3-en-1-ylmethyl 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
SMILESO=C(OCC1CC=CCC1)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C17H21NO4/c19-16-9-14(10-18(16)11-15-7-4-8-21-15)17(20)22-12-13-5-2-1-3-6-13/h1-2,4,7-8,13-14H,3,5-6,9-12H2
InChIKeyIOZIOUNGVAZQTJ-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.53
Rot. Bonds5

About cyclohex-3-en-1-ylmethyl 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate

cyclohex-3-en-1-ylmethyl 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 78780948) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is cyclohex-3-en-1-ylmethyl 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namecyclohex-3-en-1-ylmethyl 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID78780948
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Namecyclohex-3-en-1-ylmethyl 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
SMILESO=C(OCC1CC=CCC1)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C17H21NO4/c19-16-9-14(10-18(16)11-15-7-4-8-21-15)17(20)22-12-13-5-2-1-3-6-13/h1-2,4,7-8,13-14H,3,5-6,9-12H2
InChIKeyIOZIOUNGVAZQTJ-UHFFFAOYSA-N
XLogP2.53
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 42579834
phenyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 8765226
(3,4-dichlorophenyl)methyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7577913
1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50873925
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 47004312
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7553820
[2-(benzylamino)-2-oxoethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7578938
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7553865
[2-(2,6-diethylanilino)-2-oxoethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7578870
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
(3-fluoro-4-methoxyphenyl)methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7576658
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7579798

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-ylmethyl 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of cyclohex-3-en-1-ylmethyl 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate (CID 78780948) is cyclohex-3-en-1-ylmethyl 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for cyclohex-3-en-1-ylmethyl 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for cyclohex-3-en-1-ylmethyl 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate is O=C(OCC1CC=CCC1)C1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of cyclohex-3-en-1-ylmethyl 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is IOZIOUNGVAZQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c19-16-9-14(10-18(16)11-15-7-4-8-21-15)17(20)22-12-13-5-2-1-3-6-13/h1-2,4,7-8,13-14H,3,5-6,9-12H2.
What are the key properties of cyclohex-3-en-1-ylmethyl 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?
cyclohex-3-en-1-ylmethyl 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 303.36 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-ylmethyl 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 78780948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).