(2-methoxy-1,3-benzodioxol-4-yl) N-methylcarbamate

C10H11NO5 — CID 21392568

IUPAC(2-methoxy-1,3-benzodioxol-4-yl) N-methylcarbamate
SMILESCNC(=O)Oc1cccc2c1OC(OC)O2
InChIInChI=1S/C10H11NO5/c1-11-9(12)14-6-4-3-5-7-8(6)16-10(13-2)15-7/h3-5,10H,1-2H3,(H,11,12)
InChIKeyKRKIHQQTKVLTOJ-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.11
Rot. Bonds2

About (2-methoxy-1,3-benzodioxol-4-yl) N-methylcarbamate

(2-methoxy-1,3-benzodioxol-4-yl) N-methylcarbamate (PubChem CID 21392568) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is (2-methoxy-1,3-benzodioxol-4-yl) N-methylcarbamate.

Molecular Properties

Compound Name(2-methoxy-1,3-benzodioxol-4-yl) N-methylcarbamate
PubChem CID21392568
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name(2-methoxy-1,3-benzodioxol-4-yl) N-methylcarbamate
SMILESCNC(=O)Oc1cccc2c1OC(OC)O2
InChIInChI=1S/C10H11NO5/c1-11-9(12)14-6-4-3-5-7-8(6)16-10(13-2)15-7/h3-5,10H,1-2H3,(H,11,12)
InChIKeyKRKIHQQTKVLTOJ-UHFFFAOYSA-N
XLogP1.11
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-1,3-benzodioxol-4-yl) N-methylcarbamate?
The IUPAC name of (2-methoxy-1,3-benzodioxol-4-yl) N-methylcarbamate (CID 21392568) is (2-methoxy-1,3-benzodioxol-4-yl) N-methylcarbamate.
What is the SMILES notation for (2-methoxy-1,3-benzodioxol-4-yl) N-methylcarbamate?
The canonical SMILES for (2-methoxy-1,3-benzodioxol-4-yl) N-methylcarbamate is CNC(=O)Oc1cccc2c1OC(OC)O2.
What is the InChIKey of (2-methoxy-1,3-benzodioxol-4-yl) N-methylcarbamate?
The InChIKey is KRKIHQQTKVLTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-11-9(12)14-6-4-3-5-7-8(6)16-10(13-2)15-7/h3-5,10H,1-2H3,(H,11,12).
What are the key properties of (2-methoxy-1,3-benzodioxol-4-yl) N-methylcarbamate?
(2-methoxy-1,3-benzodioxol-4-yl) N-methylcarbamate has a molecular weight of 225.20 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-1,3-benzodioxol-4-yl) N-methylcarbamate is sourced from PubChem (CID 21392568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).