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

C9H13NO5 — CID 164595427

IUPAC(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-propylcarbamate
SMILESCCCNC(=O)OCc1oc(=O)oc1C
InChIInChI=1S/C9H13NO5/c1-3-4-10-8(11)13-5-7-6(2)14-9(12)15-7/h3-5H2,1-2H3,(H,10,11)
InChIKeyNEKOZMXGAHGBGL-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.18
Rot. Bonds4

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

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-propylcarbamate (PubChem CID 164595427) has the molecular formula C9H13NO5 and a molecular weight of 215.20 g/mol. Its IUPAC name is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-propylcarbamate.

Molecular Properties

Compound Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-propylcarbamate
PubChem CID164595427
Molecular FormulaC9H13NO5
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-propylcarbamate
SMILESCCCNC(=O)OCc1oc(=O)oc1C
InChIInChI=1S/C9H13NO5/c1-3-4-10-8(11)13-5-7-6(2)14-9(12)15-7/h3-5H2,1-2H3,(H,10,11)
InChIKeyNEKOZMXGAHGBGL-UHFFFAOYSA-N
XLogP1.18
TPSA81.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.18
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-propylcarbamate?
The IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-propylcarbamate (CID 164595427) is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-propylcarbamate.
What is the SMILES notation for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-propylcarbamate?
The canonical SMILES for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-propylcarbamate is CCCNC(=O)OCc1oc(=O)oc1C.
What is the InChIKey of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-propylcarbamate?
The InChIKey is NEKOZMXGAHGBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO5/c1-3-4-10-8(11)13-5-7-6(2)14-9(12)15-7/h3-5H2,1-2H3,(H,10,11).
What are the key properties of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-propylcarbamate?
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-propylcarbamate has a molecular weight of 215.20 g/mol, XLogP of 1.18, 4 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-propylcarbamate is sourced from PubChem (CID 164595427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).