1,3-benzodioxol-5-ylmethyl N,N-dimethylcarbamate

C11H13NO4 — CID 14949890

IUPAC1,3-benzodioxol-5-ylmethyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCc1ccc2c(c1)OCO2
InChIInChI=1S/C11H13NO4/c1-12(2)11(13)14-6-8-3-4-9-10(5-8)16-7-15-9/h3-5H,6-7H2,1-2H3
InChIKeyBKLMEHUEYJAJCD-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.61
Rot. Bonds2

About 1,3-benzodioxol-5-ylmethyl N,N-dimethylcarbamate

1,3-benzodioxol-5-ylmethyl N,N-dimethylcarbamate (PubChem CID 14949890) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1,3-benzodioxol-5-ylmethyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name1,3-benzodioxol-5-ylmethyl N,N-dimethylcarbamate
PubChem CID14949890
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name1,3-benzodioxol-5-ylmethyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCc1ccc2c(c1)OCO2
InChIInChI=1S/C11H13NO4/c1-12(2)11(13)14-6-8-3-4-9-10(5-8)16-7-15-9/h3-5H,6-7H2,1-2H3
InChIKeyBKLMEHUEYJAJCD-UHFFFAOYSA-N
XLogP1.61
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Piperonyl Butoxide
CID 5794
Isosafrole
CID 637796
Piperonyl acetate
CID 9473
Piperonyl alcohol
CID 10322
Dihydrosafrole
CID 7197
Piperonyl isobutyrate
CID 62580
Piprotal
CID 21350
5-(Diethoxymethyl)-1,3-benzodioxole
CID 95136
5-Propenyl-benzo-1,3-dioxole
CID 8439
1,3-Benzodioxole-5-methanol, alpha-ethenyl-, 5-acetate
CID 36868
Safrole oxide
CID 101123
1,3-Benzodioxole, 5-methyl-
CID 81564

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-ylmethyl N,N-dimethylcarbamate?
The IUPAC name of 1,3-benzodioxol-5-ylmethyl N,N-dimethylcarbamate (CID 14949890) is 1,3-benzodioxol-5-ylmethyl N,N-dimethylcarbamate.
What is the SMILES notation for 1,3-benzodioxol-5-ylmethyl N,N-dimethylcarbamate?
The canonical SMILES for 1,3-benzodioxol-5-ylmethyl N,N-dimethylcarbamate is CN(C)C(=O)OCc1ccc2c(c1)OCO2.
What is the InChIKey of 1,3-benzodioxol-5-ylmethyl N,N-dimethylcarbamate?
The InChIKey is BKLMEHUEYJAJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-12(2)11(13)14-6-8-3-4-9-10(5-8)16-7-15-9/h3-5H,6-7H2,1-2H3.
What are the key properties of 1,3-benzodioxol-5-ylmethyl N,N-dimethylcarbamate?
1,3-benzodioxol-5-ylmethyl N,N-dimethylcarbamate has a molecular weight of 223.23 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-ylmethyl N,N-dimethylcarbamate is sourced from PubChem (CID 14949890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).