2-(nitrosomethyl)-1,3-dioxolane

C4H7NO3 — CID 142134214

IUPAC2-(nitrosomethyl)-1,3-dioxolane
SMILESO=NCC1OCCO1
InChIInChI=1S/C4H7NO3/c6-5-3-4-7-1-2-8-4/h4H,1-3H2
InChIKeyNXGIEUKUAITMKU-UHFFFAOYSA-N
MW117.10 g/mol
LogP0.13
Rot. Bonds2

About 2-(nitrosomethyl)-1,3-dioxolane

2-(nitrosomethyl)-1,3-dioxolane (PubChem CID 142134214) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is 2-(nitrosomethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(nitrosomethyl)-1,3-dioxolane
PubChem CID142134214
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name2-(nitrosomethyl)-1,3-dioxolane
SMILESO=NCC1OCCO1
InChIInChI=1S/C4H7NO3/c6-5-3-4-7-1-2-8-4/h4H,1-3H2
InChIKeyNXGIEUKUAITMKU-UHFFFAOYSA-N
XLogP0.13
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(nitrosomethyl)-1,3-dioxolane?
The IUPAC name of 2-(nitrosomethyl)-1,3-dioxolane (CID 142134214) is 2-(nitrosomethyl)-1,3-dioxolane.
What is the SMILES notation for 2-(nitrosomethyl)-1,3-dioxolane?
The canonical SMILES for 2-(nitrosomethyl)-1,3-dioxolane is O=NCC1OCCO1.
What is the InChIKey of 2-(nitrosomethyl)-1,3-dioxolane?
The InChIKey is NXGIEUKUAITMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3/c6-5-3-4-7-1-2-8-4/h4H,1-3H2.
What are the key properties of 2-(nitrosomethyl)-1,3-dioxolane?
2-(nitrosomethyl)-1,3-dioxolane has a molecular weight of 117.10 g/mol, XLogP of 0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(nitrosomethyl)-1,3-dioxolane is sourced from PubChem (CID 142134214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).