methyl (4-methylpyrrolidin-3-yl) carbonate

C7H13NO3 — CID 69042188

IUPACmethyl (4-methylpyrrolidin-3-yl) carbonate
SMILESCOC(=O)OC1CNCC1C
InChIInChI=1S/C7H13NO3/c1-5-3-8-4-6(5)11-7(9)10-2/h5-6,8H,3-4H2,1-2H3
InChIKeyYEWJLZBNGFSEMC-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.38
Rot. Bonds1

About methyl (4-methylpyrrolidin-3-yl) carbonate

methyl (4-methylpyrrolidin-3-yl) carbonate (PubChem CID 69042188) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is methyl (4-methylpyrrolidin-3-yl) carbonate.

Molecular Properties

Compound Namemethyl (4-methylpyrrolidin-3-yl) carbonate
PubChem CID69042188
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Namemethyl (4-methylpyrrolidin-3-yl) carbonate
SMILESCOC(=O)OC1CNCC1C
InChIInChI=1S/C7H13NO3/c1-5-3-8-4-6(5)11-7(9)10-2/h5-6,8H,3-4H2,1-2H3
InChIKeyYEWJLZBNGFSEMC-UHFFFAOYSA-N
XLogP0.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (4-methylpyrrolidin-3-yl) carbonate?
The IUPAC name of methyl (4-methylpyrrolidin-3-yl) carbonate (CID 69042188) is methyl (4-methylpyrrolidin-3-yl) carbonate.
What is the SMILES notation for methyl (4-methylpyrrolidin-3-yl) carbonate?
The canonical SMILES for methyl (4-methylpyrrolidin-3-yl) carbonate is COC(=O)OC1CNCC1C.
What is the InChIKey of methyl (4-methylpyrrolidin-3-yl) carbonate?
The InChIKey is YEWJLZBNGFSEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5-3-8-4-6(5)11-7(9)10-2/h5-6,8H,3-4H2,1-2H3.
What are the key properties of methyl (4-methylpyrrolidin-3-yl) carbonate?
methyl (4-methylpyrrolidin-3-yl) carbonate has a molecular weight of 159.18 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4-methylpyrrolidin-3-yl) carbonate is sourced from PubChem (CID 69042188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).