methyl (1-methyl-5-oxopyrrolidin-3-yl) carbonate

C7H11NO4 — CID 66801634

IUPACmethyl (1-methyl-5-oxopyrrolidin-3-yl) carbonate
SMILESCOC(=O)OC1CC(=O)N(C)C1
InChIInChI=1S/C7H11NO4/c1-8-4-5(3-6(8)9)12-7(10)11-2/h5H,3-4H2,1-2H3
InChIKeyMNNOXZKSQJOMIF-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.00
Rot. Bonds1

About methyl (1-methyl-5-oxopyrrolidin-3-yl) carbonate

methyl (1-methyl-5-oxopyrrolidin-3-yl) carbonate (PubChem CID 66801634) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is methyl (1-methyl-5-oxopyrrolidin-3-yl) carbonate.

Molecular Properties

Compound Namemethyl (1-methyl-5-oxopyrrolidin-3-yl) carbonate
PubChem CID66801634
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Namemethyl (1-methyl-5-oxopyrrolidin-3-yl) carbonate
SMILESCOC(=O)OC1CC(=O)N(C)C1
InChIInChI=1S/C7H11NO4/c1-8-4-5(3-6(8)9)12-7(10)11-2/h5H,3-4H2,1-2H3
InChIKeyMNNOXZKSQJOMIF-UHFFFAOYSA-N
XLogP0.00
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (1-methyl-5-oxopyrrolidin-3-yl) carbonate?
The IUPAC name of methyl (1-methyl-5-oxopyrrolidin-3-yl) carbonate (CID 66801634) is methyl (1-methyl-5-oxopyrrolidin-3-yl) carbonate.
What is the SMILES notation for methyl (1-methyl-5-oxopyrrolidin-3-yl) carbonate?
The canonical SMILES for methyl (1-methyl-5-oxopyrrolidin-3-yl) carbonate is COC(=O)OC1CC(=O)N(C)C1.
What is the InChIKey of methyl (1-methyl-5-oxopyrrolidin-3-yl) carbonate?
The InChIKey is MNNOXZKSQJOMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-8-4-5(3-6(8)9)12-7(10)11-2/h5H,3-4H2,1-2H3.
What are the key properties of methyl (1-methyl-5-oxopyrrolidin-3-yl) carbonate?
methyl (1-methyl-5-oxopyrrolidin-3-yl) carbonate has a molecular weight of 173.17 g/mol, XLogP of 0.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1-methyl-5-oxopyrrolidin-3-yl) carbonate is sourced from PubChem (CID 66801634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).