(2R,4S)-4-methyl-2-(nitrosomethyl)-1,3-dioxolane

C5H9NO3 — CID 89043720

IUPAC(2R,4S)-4-methyl-2-(nitrosomethyl)-1,3-dioxolane
SMILESC[C@H]1CO[C@@H](CN=O)O1
InChIInChI=1S/C5H9NO3/c1-4-3-8-5(9-4)2-6-7/h4-5H,2-3H2,1H3/t4-,5+/m0/s1
InChIKeyXERGZIPVPOKQKJ-CRCLSJGQSA-N
MW131.13 g/mol
LogP0.51
Rot. Bonds2

About (2R,4S)-4-methyl-2-(nitrosomethyl)-1,3-dioxolane

(2R,4S)-4-methyl-2-(nitrosomethyl)-1,3-dioxolane (PubChem CID 89043720) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is (2R,4S)-4-methyl-2-(nitrosomethyl)-1,3-dioxolane.

Molecular Properties

Compound Name(2R,4S)-4-methyl-2-(nitrosomethyl)-1,3-dioxolane
PubChem CID89043720
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name(2R,4S)-4-methyl-2-(nitrosomethyl)-1,3-dioxolane
SMILESC[C@H]1CO[C@@H](CN=O)O1
InChIInChI=1S/C5H9NO3/c1-4-3-8-5(9-4)2-6-7/h4-5H,2-3H2,1H3/t4-,5+/m0/s1
InChIKeyXERGZIPVPOKQKJ-CRCLSJGQSA-N
XLogP0.51
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-methyl-2-(nitrosomethyl)-1,3-dioxolane?
The IUPAC name of (2R,4S)-4-methyl-2-(nitrosomethyl)-1,3-dioxolane (CID 89043720) is (2R,4S)-4-methyl-2-(nitrosomethyl)-1,3-dioxolane.
What is the SMILES notation for (2R,4S)-4-methyl-2-(nitrosomethyl)-1,3-dioxolane?
The canonical SMILES for (2R,4S)-4-methyl-2-(nitrosomethyl)-1,3-dioxolane is C[C@H]1CO[C@@H](CN=O)O1.
What is the InChIKey of (2R,4S)-4-methyl-2-(nitrosomethyl)-1,3-dioxolane?
The InChIKey is XERGZIPVPOKQKJ-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H9NO3/c1-4-3-8-5(9-4)2-6-7/h4-5H,2-3H2,1H3/t4-,5+/m0/s1.
What are the key properties of (2R,4S)-4-methyl-2-(nitrosomethyl)-1,3-dioxolane?
(2R,4S)-4-methyl-2-(nitrosomethyl)-1,3-dioxolane has a molecular weight of 131.13 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-methyl-2-(nitrosomethyl)-1,3-dioxolane is sourced from PubChem (CID 89043720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).