benzyl 2-oxopyrrolidine-1-carboxylate

C12H13NO3 — CID 10932936

IUPACbenzyl 2-oxopyrrolidine-1-carboxylate
SMILESO=C1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C12H13NO3/c14-11-7-4-8-13(11)12(15)16-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChIKeyDVMZKGUWEAXMRT-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.95
Rot. Bonds2

About benzyl 2-oxopyrrolidine-1-carboxylate

benzyl 2-oxopyrrolidine-1-carboxylate (PubChem CID 10932936) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is benzyl 2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-oxopyrrolidine-1-carboxylate
PubChem CID10932936
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Namebenzyl 2-oxopyrrolidine-1-carboxylate
SMILESO=C1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C12H13NO3/c14-11-7-4-8-13(11)12(15)16-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChIKeyDVMZKGUWEAXMRT-UHFFFAOYSA-N
XLogP1.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-oxopyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-oxopyrrolidine-1-carboxylate (CID 10932936) is benzyl 2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-oxopyrrolidine-1-carboxylate is O=C1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-oxopyrrolidine-1-carboxylate?
The InChIKey is DVMZKGUWEAXMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c14-11-7-4-8-13(11)12(15)16-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2.
What are the key properties of benzyl 2-oxopyrrolidine-1-carboxylate?
benzyl 2-oxopyrrolidine-1-carboxylate has a molecular weight of 219.24 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 10932936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).