N-(8-formyl-4H-1,3-benzodioxin-6-yl)acetamide

C11H11NO4 — CID 84787737

IUPACN-(8-formyl-4H-1,3-benzodioxin-6-yl)acetamide
SMILESCC(=O)Nc1cc(C=O)c2c(c1)COCO2
InChIInChI=1S/C11H11NO4/c1-7(14)12-10-2-8(4-13)11-9(3-10)5-15-6-16-11/h2-4H,5-6H2,1H3,(H,12,14)
InChIKeyNYDRRIYRCQATEO-UHFFFAOYSA-N
MW221.21 g/mol
LogP1.32
Rot. Bonds2

About N-(8-formyl-4H-1,3-benzodioxin-6-yl)acetamide

N-(8-formyl-4H-1,3-benzodioxin-6-yl)acetamide (PubChem CID 84787737) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is N-(8-formyl-4H-1,3-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound NameN-(8-formyl-4H-1,3-benzodioxin-6-yl)acetamide
PubChem CID84787737
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC NameN-(8-formyl-4H-1,3-benzodioxin-6-yl)acetamide
SMILESCC(=O)Nc1cc(C=O)c2c(c1)COCO2
InChIInChI=1S/C11H11NO4/c1-7(14)12-10-2-8(4-13)11-9(3-10)5-15-6-16-11/h2-4H,5-6H2,1H3,(H,12,14)
InChIKeyNYDRRIYRCQATEO-UHFFFAOYSA-N
XLogP1.32
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(8-formyl-4H-1,3-benzodioxin-6-yl)acetamide?
The IUPAC name of N-(8-formyl-4H-1,3-benzodioxin-6-yl)acetamide (CID 84787737) is N-(8-formyl-4H-1,3-benzodioxin-6-yl)acetamide.
What is the SMILES notation for N-(8-formyl-4H-1,3-benzodioxin-6-yl)acetamide?
The canonical SMILES for N-(8-formyl-4H-1,3-benzodioxin-6-yl)acetamide is CC(=O)Nc1cc(C=O)c2c(c1)COCO2.
What is the InChIKey of N-(8-formyl-4H-1,3-benzodioxin-6-yl)acetamide?
The InChIKey is NYDRRIYRCQATEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-7(14)12-10-2-8(4-13)11-9(3-10)5-15-6-16-11/h2-4H,5-6H2,1H3,(H,12,14).
What are the key properties of N-(8-formyl-4H-1,3-benzodioxin-6-yl)acetamide?
N-(8-formyl-4H-1,3-benzodioxin-6-yl)acetamide has a molecular weight of 221.21 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-formyl-4H-1,3-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 84787737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).