N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

C11H13NO3 — CID 2788656

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESCCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C11H13NO3/c1-2-11(13)12-8-3-4-9-10(7-8)15-6-5-14-9/h3-4,7H,2,5-6H2,1H3,(H,12,13)
InChIKeyAVTIQDWFHHZESV-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.81
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (PubChem CID 2788656) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
PubChem CID2788656
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESCCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C11H13NO3/c1-2-11(13)12-8-3-4-9-10(7-8)15-6-5-14-9/h3-4,7H,2,5-6H2,1H3,(H,12,13)
InChIKeyAVTIQDWFHHZESV-UHFFFAOYSA-N
XLogP1.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (CID 2788656) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is CCC(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The InChIKey is AVTIQDWFHHZESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-2-11(13)12-8-3-4-9-10(7-8)15-6-5-14-9/h3-4,7H,2,5-6H2,1H3,(H,12,13).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide has a molecular weight of 207.23 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is sourced from PubChem (CID 2788656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).