benzyl pyrrolidin-2-yl carbonate

C12H15NO3 — CID 22078377

IUPACbenzyl pyrrolidin-2-yl carbonate
SMILESO=C(OCc1ccccc1)OC1CCCN1
InChIInChI=1S/C12H15NO3/c14-12(16-11-7-4-8-13-11)15-9-10-5-2-1-3-6-10/h1-3,5-6,11,13H,4,7-9H2
InChIKeyQPLHCGOJGMGGQE-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.05
Rot. Bonds3

About benzyl pyrrolidin-2-yl carbonate

benzyl pyrrolidin-2-yl carbonate (PubChem CID 22078377) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is benzyl pyrrolidin-2-yl carbonate.

Molecular Properties

Compound Namebenzyl pyrrolidin-2-yl carbonate
PubChem CID22078377
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Namebenzyl pyrrolidin-2-yl carbonate
SMILESO=C(OCc1ccccc1)OC1CCCN1
InChIInChI=1S/C12H15NO3/c14-12(16-11-7-4-8-13-11)15-9-10-5-2-1-3-6-10/h1-3,5-6,11,13H,4,7-9H2
InChIKeyQPLHCGOJGMGGQE-UHFFFAOYSA-N
XLogP2.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl pyrrolidin-2-yl carbonate?
The IUPAC name of benzyl pyrrolidin-2-yl carbonate (CID 22078377) is benzyl pyrrolidin-2-yl carbonate.
What is the SMILES notation for benzyl pyrrolidin-2-yl carbonate?
The canonical SMILES for benzyl pyrrolidin-2-yl carbonate is O=C(OCc1ccccc1)OC1CCCN1.
What is the InChIKey of benzyl pyrrolidin-2-yl carbonate?
The InChIKey is QPLHCGOJGMGGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-12(16-11-7-4-8-13-11)15-9-10-5-2-1-3-6-10/h1-3,5-6,11,13H,4,7-9H2.
What are the key properties of benzyl pyrrolidin-2-yl carbonate?
benzyl pyrrolidin-2-yl carbonate has a molecular weight of 221.26 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl pyrrolidin-2-yl carbonate is sourced from PubChem (CID 22078377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).