[5-(methylamino)-2-oxo-1,3-dioxol-4-yl]methyl N-methylcarbamate

C7H10N2O5 — CID 163822554

IUPAC[5-(methylamino)-2-oxo-1,3-dioxol-4-yl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1oc(=O)oc1NC
InChIInChI=1S/C7H10N2O5/c1-8-5-4(13-7(11)14-5)3-12-6(10)9-2/h8H,3H2,1-2H3,(H,9,10)
InChIKeyNWQNCRFLHCKOEJ-UHFFFAOYSA-N
MW202.17 g/mol
LogP0.13
Rot. Bonds3

About [5-(methylamino)-2-oxo-1,3-dioxol-4-yl]methyl N-methylcarbamate

[5-(methylamino)-2-oxo-1,3-dioxol-4-yl]methyl N-methylcarbamate (PubChem CID 163822554) has the molecular formula C7H10N2O5 and a molecular weight of 202.17 g/mol. Its IUPAC name is [5-(methylamino)-2-oxo-1,3-dioxol-4-yl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[5-(methylamino)-2-oxo-1,3-dioxol-4-yl]methyl N-methylcarbamate
PubChem CID163822554
Molecular FormulaC7H10N2O5
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name[5-(methylamino)-2-oxo-1,3-dioxol-4-yl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1oc(=O)oc1NC
InChIInChI=1S/C7H10N2O5/c1-8-5-4(13-7(11)14-5)3-12-6(10)9-2/h8H,3H2,1-2H3,(H,9,10)
InChIKeyNWQNCRFLHCKOEJ-UHFFFAOYSA-N
XLogP0.13
TPSA93.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(methylamino)-2-oxo-1,3-dioxol-4-yl]methyl N-methylcarbamate?
The IUPAC name of [5-(methylamino)-2-oxo-1,3-dioxol-4-yl]methyl N-methylcarbamate (CID 163822554) is [5-(methylamino)-2-oxo-1,3-dioxol-4-yl]methyl N-methylcarbamate.
What is the SMILES notation for [5-(methylamino)-2-oxo-1,3-dioxol-4-yl]methyl N-methylcarbamate?
The canonical SMILES for [5-(methylamino)-2-oxo-1,3-dioxol-4-yl]methyl N-methylcarbamate is CNC(=O)OCc1oc(=O)oc1NC.
What is the InChIKey of [5-(methylamino)-2-oxo-1,3-dioxol-4-yl]methyl N-methylcarbamate?
The InChIKey is NWQNCRFLHCKOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O5/c1-8-5-4(13-7(11)14-5)3-12-6(10)9-2/h8H,3H2,1-2H3,(H,9,10).
What are the key properties of [5-(methylamino)-2-oxo-1,3-dioxol-4-yl]methyl N-methylcarbamate?
[5-(methylamino)-2-oxo-1,3-dioxol-4-yl]methyl N-methylcarbamate has a molecular weight of 202.17 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methylamino)-2-oxo-1,3-dioxol-4-yl]methyl N-methylcarbamate is sourced from PubChem (CID 163822554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).