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

C7H9NO5 — CID 70670865

IUPAC(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-methylcarbamate
SMILESCNC(=O)OCc1oc(=O)oc1C
InChIInChI=1S/C7H9NO5/c1-4-5(13-7(10)12-4)3-11-6(9)8-2/h3H2,1-2H3,(H,8,9)
InChIKeyXKTLFRCRGSCWQR-UHFFFAOYSA-N
MW187.15 g/mol
LogP0.40
Rot. Bonds2

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

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-methylcarbamate (PubChem CID 70670865) has the molecular formula C7H9NO5 and a molecular weight of 187.15 g/mol. Its IUPAC name is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-methylcarbamate.

Molecular Properties

Compound Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-methylcarbamate
PubChem CID70670865
Molecular FormulaC7H9NO5
Molecular Weight187.15 g/mol
Exact Mass187.05
IUPAC Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-methylcarbamate
SMILESCNC(=O)OCc1oc(=O)oc1C
InChIInChI=1S/C7H9NO5/c1-4-5(13-7(10)12-4)3-11-6(9)8-2/h3H2,1-2H3,(H,8,9)
InChIKeyXKTLFRCRGSCWQR-UHFFFAOYSA-N
XLogP0.40
TPSA81.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-methylcarbamate?
The IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-methylcarbamate (CID 70670865) is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-methylcarbamate.
What is the SMILES notation for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-methylcarbamate?
The canonical SMILES for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-methylcarbamate is CNC(=O)OCc1oc(=O)oc1C.
What is the InChIKey of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-methylcarbamate?
The InChIKey is XKTLFRCRGSCWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO5/c1-4-5(13-7(10)12-4)3-11-6(9)8-2/h3H2,1-2H3,(H,8,9).
What are the key properties of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-methylcarbamate?
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-methylcarbamate has a molecular weight of 187.15 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-methylcarbamate is sourced from PubChem (CID 70670865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).