methyl [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl] carbonate

C10H17NO4 — CID 66803667

IUPACmethyl [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl] carbonate
SMILESCOC(=O)OC1CC(=O)N(CC(C)C)C1
InChIInChI=1S/C10H17NO4/c1-7(2)5-11-6-8(4-9(11)12)15-10(13)14-3/h7-8H,4-6H2,1-3H3
InChIKeyCSSPUBTULGRCGO-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.03
Rot. Bonds3

About methyl [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl] carbonate

methyl [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl] carbonate (PubChem CID 66803667) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl] carbonate.

Molecular Properties

Compound Namemethyl [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl] carbonate
PubChem CID66803667
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namemethyl [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl] carbonate
SMILESCOC(=O)OC1CC(=O)N(CC(C)C)C1
InChIInChI=1S/C10H17NO4/c1-7(2)5-11-6-8(4-9(11)12)15-10(13)14-3/h7-8H,4-6H2,1-3H3
InChIKeyCSSPUBTULGRCGO-UHFFFAOYSA-N
XLogP1.03
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl] carbonate?
The IUPAC name of methyl [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl] carbonate (CID 66803667) is methyl [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl] carbonate.
What is the SMILES notation for methyl [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl] carbonate?
The canonical SMILES for methyl [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl] carbonate is COC(=O)OC1CC(=O)N(CC(C)C)C1.
What is the InChIKey of methyl [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl] carbonate?
The InChIKey is CSSPUBTULGRCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-7(2)5-11-6-8(4-9(11)12)15-10(13)14-3/h7-8H,4-6H2,1-3H3.
What are the key properties of methyl [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl] carbonate?
methyl [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl] carbonate has a molecular weight of 215.25 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl] carbonate is sourced from PubChem (CID 66803667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).