4-(aminooxymethyl)-5-methyl-1,3-dioxol-2-one

C5H7NO4 — CID 134524280

IUPAC4-(aminooxymethyl)-5-methyl-1,3-dioxol-2-one
SMILESCc1oc(=O)oc1CON
InChIInChI=1S/C5H7NO4/c1-3-4(2-8-6)10-5(7)9-3/h2,6H2,1H3
InChIKeyFRASOTAVNFIKMS-UHFFFAOYSA-N
MW145.11 g/mol
LogP-0.07
Rot. Bonds2

About 4-(aminooxymethyl)-5-methyl-1,3-dioxol-2-one

4-(aminooxymethyl)-5-methyl-1,3-dioxol-2-one (PubChem CID 134524280) has the molecular formula C5H7NO4 and a molecular weight of 145.11 g/mol. Its IUPAC name is 4-(aminooxymethyl)-5-methyl-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-(aminooxymethyl)-5-methyl-1,3-dioxol-2-one
PubChem CID134524280
Molecular FormulaC5H7NO4
Molecular Weight145.11 g/mol
Exact Mass145.04
IUPAC Name4-(aminooxymethyl)-5-methyl-1,3-dioxol-2-one
SMILESCc1oc(=O)oc1CON
InChIInChI=1S/C5H7NO4/c1-3-4(2-8-6)10-5(7)9-3/h2,6H2,1H3
InChIKeyFRASOTAVNFIKMS-UHFFFAOYSA-N
XLogP-0.07
TPSA78.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(aminooxymethyl)-5-methyl-1,3-dioxol-2-one?
The IUPAC name of 4-(aminooxymethyl)-5-methyl-1,3-dioxol-2-one (CID 134524280) is 4-(aminooxymethyl)-5-methyl-1,3-dioxol-2-one.
What is the SMILES notation for 4-(aminooxymethyl)-5-methyl-1,3-dioxol-2-one?
The canonical SMILES for 4-(aminooxymethyl)-5-methyl-1,3-dioxol-2-one is Cc1oc(=O)oc1CON.
What is the InChIKey of 4-(aminooxymethyl)-5-methyl-1,3-dioxol-2-one?
The InChIKey is FRASOTAVNFIKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO4/c1-3-4(2-8-6)10-5(7)9-3/h2,6H2,1H3.
What are the key properties of 4-(aminooxymethyl)-5-methyl-1,3-dioxol-2-one?
4-(aminooxymethyl)-5-methyl-1,3-dioxol-2-one has a molecular weight of 145.11 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminooxymethyl)-5-methyl-1,3-dioxol-2-one is sourced from PubChem (CID 134524280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).