phenyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate

C16H15NO4 — CID 8765226

IUPACphenyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
SMILESO=C(Oc1ccccc1)[C@@H]1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C16H15NO4/c18-15-9-12(10-17(15)11-14-7-4-8-20-14)16(19)21-13-5-2-1-3-6-13/h1-8,12H,9-11H2/t12-/m1/s1
InChIKeyFHTXSBICGGMRKZ-GFCCVEGCSA-N
MW285.30 g/mol
LogP2.23
Rot. Bonds4

About phenyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate

phenyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 8765226) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is phenyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namephenyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID8765226
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Namephenyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
SMILESO=C(Oc1ccccc1)[C@@H]1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C16H15NO4/c18-15-9-12(10-17(15)11-14-7-4-8-20-14)16(19)21-13-5-2-1-3-6-13/h1-8,12H,9-11H2/t12-/m1/s1
InChIKeyFHTXSBICGGMRKZ-GFCCVEGCSA-N
XLogP2.23
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 42579834
1,3-benzodioxol-5-yl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 8766181
1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50873925
[2-(benzylamino)-2-oxoethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7578938
[2-[4-(furan-2-carbonyloxy)phenyl]-2-oxoethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 1095972
phenyl (3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 8765157
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
1-(furan-2-ylmethyl)-5-oxo-N'-(2-phenoxypropanoyl)pyrrolidine-3-carbohydrazide
CID 17232666
(3,4-dichlorophenyl)methyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7577913
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 8954559
(2S)-2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 124701749
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 47004312

Frequently Asked Questions

What is the IUPAC name of phenyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of phenyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate (CID 8765226) is phenyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for phenyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for phenyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate is O=C(Oc1ccccc1)[C@@H]1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of phenyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is FHTXSBICGGMRKZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15NO4/c18-15-9-12(10-17(15)11-14-7-4-8-20-14)16(19)21-13-5-2-1-3-6-13/h1-8,12H,9-11H2/t12-/m1/s1.
What are the key properties of phenyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?
phenyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 285.30 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 8765226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).