benzyl 2-[(5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylate

C17H18N2O5 — CID 70640663

IUPACbenzyl 2-[(5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylate
SMILESO=C1C=C(NC(=O)C2CCCN2C(=O)OCc2ccccc2)CO1
InChIInChI=1S/C17H18N2O5/c20-15-9-13(11-23-15)18-16(21)14-7-4-8-19(14)17(22)24-10-12-5-2-1-3-6-12/h1-3,5-6,9,14H,4,7-8,10-11H2,(H,18,21)
InChIKeyAKKFOPCPQBHDOO-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.34
Rot. Bonds4

About benzyl 2-[(5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylate

benzyl 2-[(5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 70640663) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is benzyl 2-[(5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[(5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylate
PubChem CID70640663
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Namebenzyl 2-[(5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylate
SMILESO=C1C=C(NC(=O)C2CCCN2C(=O)OCc2ccccc2)CO1
InChIInChI=1S/C17H18N2O5/c20-15-9-13(11-23-15)18-16(21)14-7-4-8-19(14)17(22)24-10-12-5-2-1-3-6-12/h1-3,5-6,9,14H,4,7-8,10-11H2,(H,18,21)
InChIKeyAKKFOPCPQBHDOO-UHFFFAOYSA-N
XLogP1.34
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2-[(4-hydroxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 84577175
benzyl (2S)-2-[[(2S)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl (2S)-2-[[(2R)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl 2-[[(2R)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl 2-[[(2S)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 158180191
benzyl (2S)-2-[(2-ethoxy-5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 59730811
benzyl (2S)-2-(aminomethylcarbamoyl)pyrrolidine-1-carboxylate
CID 90822117
benzyl (2S)-2-(cyclopentylcarbamoyl)pyrrolidine-1-carboxylate
CID 759070
benzyl 2-[(4-iodophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 46502069
benzyl (2R)-2-(naphthalen-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 6958654
benzyl (2S)-2-(naphthalen-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 10109941
benzyl 2-[(4-tert-butylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 91182280
benzyl 2-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 3127517
benzyl (2R)-2-(benzenesulfonylcarbamoyl)pyrrolidine-1-carboxylate
CID 89441344
benzyl 2-(prop-2-enylcarbamoyl)pyrrolidine-1-carboxylate
CID 84576697

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-[(5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylate (CID 70640663) is benzyl 2-[(5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-[(5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-[(5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylate is O=C1C=C(NC(=O)C2CCCN2C(=O)OCc2ccccc2)CO1.
What is the InChIKey of benzyl 2-[(5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is AKKFOPCPQBHDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c20-15-9-13(11-23-15)18-16(21)14-7-4-8-19(14)17(22)24-10-12-5-2-1-3-6-12/h1-3,5-6,9,14H,4,7-8,10-11H2,(H,18,21).
What are the key properties of benzyl 2-[(5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylate?
benzyl 2-[(5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 330.34 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 70640663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).