4-(methylamino)-1,3-dioxol-2-one

C4H5NO3 — CID 18974460

IUPAC4-(methylamino)-1,3-dioxol-2-one
SMILESCNc1coc(=O)o1
InChIInChI=1S/C4H5NO3/c1-5-3-2-7-4(6)8-3/h2,5H,1H3
InChIKeyXWAIZQOZPWDXMB-UHFFFAOYSA-N
MW115.09 g/mol
LogP0.27
Rot. Bonds1

About 4-(methylamino)-1,3-dioxol-2-one

4-(methylamino)-1,3-dioxol-2-one (PubChem CID 18974460) has the molecular formula C4H5NO3 and a molecular weight of 115.09 g/mol. Its IUPAC name is 4-(methylamino)-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-(methylamino)-1,3-dioxol-2-one
PubChem CID18974460
Molecular FormulaC4H5NO3
Molecular Weight115.09 g/mol
Exact Mass115.03
IUPAC Name4-(methylamino)-1,3-dioxol-2-one
SMILESCNc1coc(=O)o1
InChIInChI=1S/C4H5NO3/c1-5-3-2-7-4(6)8-3/h2,5H,1H3
InChIKeyXWAIZQOZPWDXMB-UHFFFAOYSA-N
XLogP0.27
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.09
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-1,3-dioxol-2-one?
The IUPAC name of 4-(methylamino)-1,3-dioxol-2-one (CID 18974460) is 4-(methylamino)-1,3-dioxol-2-one.
What is the SMILES notation for 4-(methylamino)-1,3-dioxol-2-one?
The canonical SMILES for 4-(methylamino)-1,3-dioxol-2-one is CNc1coc(=O)o1.
What is the InChIKey of 4-(methylamino)-1,3-dioxol-2-one?
The InChIKey is XWAIZQOZPWDXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3/c1-5-3-2-7-4(6)8-3/h2,5H,1H3.
What are the key properties of 4-(methylamino)-1,3-dioxol-2-one?
4-(methylamino)-1,3-dioxol-2-one has a molecular weight of 115.09 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-1,3-dioxol-2-one is sourced from PubChem (CID 18974460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).