N-(4H-1,3-benzodioxin-6-yl)acetamide

C10H11NO3 — CID 2740407

IUPACN-(4H-1,3-benzodioxin-6-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)COCO2
InChIInChI=1S/C10H11NO3/c1-7(12)11-9-2-3-10-8(4-9)5-13-6-14-10/h2-4H,5-6H2,1H3,(H,11,12)
InChIKeyIIZXBSKKHPDCKR-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.51
Rot. Bonds1

About N-(4H-1,3-benzodioxin-6-yl)acetamide

N-(4H-1,3-benzodioxin-6-yl)acetamide (PubChem CID 2740407) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is N-(4H-1,3-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound NameN-(4H-1,3-benzodioxin-6-yl)acetamide
PubChem CID2740407
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC NameN-(4H-1,3-benzodioxin-6-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)COCO2
InChIInChI=1S/C10H11NO3/c1-7(12)11-9-2-3-10-8(4-9)5-13-6-14-10/h2-4H,5-6H2,1H3,(H,11,12)
InChIKeyIIZXBSKKHPDCKR-UHFFFAOYSA-N
XLogP1.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4H-1,3-benzodioxin-6-yl)acetamide?
The IUPAC name of N-(4H-1,3-benzodioxin-6-yl)acetamide (CID 2740407) is N-(4H-1,3-benzodioxin-6-yl)acetamide.
What is the SMILES notation for N-(4H-1,3-benzodioxin-6-yl)acetamide?
The canonical SMILES for N-(4H-1,3-benzodioxin-6-yl)acetamide is CC(=O)Nc1ccc2c(c1)COCO2.
What is the InChIKey of N-(4H-1,3-benzodioxin-6-yl)acetamide?
The InChIKey is IIZXBSKKHPDCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-7(12)11-9-2-3-10-8(4-9)5-13-6-14-10/h2-4H,5-6H2,1H3,(H,11,12).
What are the key properties of N-(4H-1,3-benzodioxin-6-yl)acetamide?
N-(4H-1,3-benzodioxin-6-yl)acetamide has a molecular weight of 193.20 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4H-1,3-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 2740407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).