2-(2-nitrosoethyl)-1,3-dioxolane

C5H9NO3 — CID 88965292

IUPAC2-(2-nitrosoethyl)-1,3-dioxolane
SMILESO=NCCC1OCCO1
InChIInChI=1S/C5H9NO3/c7-6-2-1-5-8-3-4-9-5/h5H,1-4H2
InChIKeyMKPRRSYWOHYHCS-UHFFFAOYSA-N
MW131.13 g/mol
LogP0.52
Rot. Bonds3

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

2-(2-nitrosoethyl)-1,3-dioxolane (PubChem CID 88965292) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is 2-(2-nitrosoethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2-nitrosoethyl)-1,3-dioxolane
PubChem CID88965292
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name2-(2-nitrosoethyl)-1,3-dioxolane
SMILESO=NCCC1OCCO1
InChIInChI=1S/C5H9NO3/c7-6-2-1-5-8-3-4-9-5/h5H,1-4H2
InChIKeyMKPRRSYWOHYHCS-UHFFFAOYSA-N
XLogP0.52
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrosoethyl)-1,3-dioxolane?
The IUPAC name of 2-(2-nitrosoethyl)-1,3-dioxolane (CID 88965292) is 2-(2-nitrosoethyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2-nitrosoethyl)-1,3-dioxolane?
The canonical SMILES for 2-(2-nitrosoethyl)-1,3-dioxolane is O=NCCC1OCCO1.
What is the InChIKey of 2-(2-nitrosoethyl)-1,3-dioxolane?
The InChIKey is MKPRRSYWOHYHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c7-6-2-1-5-8-3-4-9-5/h5H,1-4H2.
What are the key properties of 2-(2-nitrosoethyl)-1,3-dioxolane?
2-(2-nitrosoethyl)-1,3-dioxolane has a molecular weight of 131.13 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrosoethyl)-1,3-dioxolane is sourced from PubChem (CID 88965292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).