methyl N-(5-oxooxolan-2-yl)carbamate

C6H9NO4 — CID 10511146

IUPACmethyl N-(5-oxooxolan-2-yl)carbamate
SMILESCOC(=O)NC1CCC(=O)O1
InChIInChI=1S/C6H9NO4/c1-10-6(9)7-4-2-3-5(8)11-4/h4H,2-3H2,1H3,(H,7,9)
InChIKeyUSJAXCDLHLCULT-UHFFFAOYSA-N
MW159.14 g/mol
LogP0.01
Rot. Bonds1

About methyl N-(5-oxooxolan-2-yl)carbamate

methyl N-(5-oxooxolan-2-yl)carbamate (PubChem CID 10511146) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is methyl N-(5-oxooxolan-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(5-oxooxolan-2-yl)carbamate
PubChem CID10511146
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Namemethyl N-(5-oxooxolan-2-yl)carbamate
SMILESCOC(=O)NC1CCC(=O)O1
InChIInChI=1S/C6H9NO4/c1-10-6(9)7-4-2-3-5(8)11-4/h4H,2-3H2,1H3,(H,7,9)
InChIKeyUSJAXCDLHLCULT-UHFFFAOYSA-N
XLogP0.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-(5-oxooxolan-2-yl)carbamate?
The IUPAC name of methyl N-(5-oxooxolan-2-yl)carbamate (CID 10511146) is methyl N-(5-oxooxolan-2-yl)carbamate.
What is the SMILES notation for methyl N-(5-oxooxolan-2-yl)carbamate?
The canonical SMILES for methyl N-(5-oxooxolan-2-yl)carbamate is COC(=O)NC1CCC(=O)O1.
What is the InChIKey of methyl N-(5-oxooxolan-2-yl)carbamate?
The InChIKey is USJAXCDLHLCULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c1-10-6(9)7-4-2-3-5(8)11-4/h4H,2-3H2,1H3,(H,7,9).
What are the key properties of methyl N-(5-oxooxolan-2-yl)carbamate?
methyl N-(5-oxooxolan-2-yl)carbamate has a molecular weight of 159.14 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(5-oxooxolan-2-yl)carbamate is sourced from PubChem (CID 10511146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).