N-(7-formyl-1,3-benzodioxol-5-yl)acetamide

C10H9NO4 — CID 84779325

IUPACN-(7-formyl-1,3-benzodioxol-5-yl)acetamide
SMILESCC(=O)Nc1cc(C=O)c2c(c1)OCO2
InChIInChI=1S/C10H9NO4/c1-6(13)11-8-2-7(4-12)10-9(3-8)14-5-15-10/h2-4H,5H2,1H3,(H,11,13)
InChIKeyXJYWMTFRDFCGFX-UHFFFAOYSA-N
MW207.18 g/mol
LogP1.19
Rot. Bonds2

About N-(7-formyl-1,3-benzodioxol-5-yl)acetamide

N-(7-formyl-1,3-benzodioxol-5-yl)acetamide (PubChem CID 84779325) has the molecular formula C10H9NO4 and a molecular weight of 207.18 g/mol. Its IUPAC name is N-(7-formyl-1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound NameN-(7-formyl-1,3-benzodioxol-5-yl)acetamide
PubChem CID84779325
Molecular FormulaC10H9NO4
Molecular Weight207.18 g/mol
Exact Mass207.05
IUPAC NameN-(7-formyl-1,3-benzodioxol-5-yl)acetamide
SMILESCC(=O)Nc1cc(C=O)c2c(c1)OCO2
InChIInChI=1S/C10H9NO4/c1-6(13)11-8-2-7(4-12)10-9(3-8)14-5-15-10/h2-4H,5H2,1H3,(H,11,13)
InChIKeyXJYWMTFRDFCGFX-UHFFFAOYSA-N
XLogP1.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(8-formyl-4H-1,3-benzodioxin-6-yl)acetamide
CID 84787737
N-(7-methyl-1,3-benzodioxol-5-yl)acetamide
CID 59429949
6-methyl-1,3-benzodioxole-4-carbaldehyde
CID 58304897
N-(6-formyl-5-methoxy-1,3-benzodioxol-4-yl)acetamide
CID 84798418
N-(3-acetamidophenyl)-2-(1,3-benzodioxol-4-yl)acetamide
CID 110861232
N-(7-formyl-2,3-dihydro-1H-inden-5-yl)acetamide
CID 84777244
N-(3,5-diacetamidophenyl)acetamide
CID 12731559
4-(1,3-benzodioxol-4-yl)but-3-en-2-one
CID 54504381
(2S)-N-(1,3-benzodioxol-5-yl)-2-(2-formylphenoxy)propanamide
CID 7762815
benzo[g][1,3]benzodioxole-5-carbaldehyde
CID 12524007
N-(6-oxo-7,8-dihydrocyclopenta[g][1,3]benzodioxol-5-yl)acetamide
CID 166490529
N-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]phenyl]acetamide
CID 17462314

Frequently Asked Questions

What is the IUPAC name of N-(7-formyl-1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of N-(7-formyl-1,3-benzodioxol-5-yl)acetamide (CID 84779325) is N-(7-formyl-1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for N-(7-formyl-1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for N-(7-formyl-1,3-benzodioxol-5-yl)acetamide is CC(=O)Nc1cc(C=O)c2c(c1)OCO2.
What is the InChIKey of N-(7-formyl-1,3-benzodioxol-5-yl)acetamide?
The InChIKey is XJYWMTFRDFCGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c1-6(13)11-8-2-7(4-12)10-9(3-8)14-5-15-10/h2-4H,5H2,1H3,(H,11,13).
What are the key properties of N-(7-formyl-1,3-benzodioxol-5-yl)acetamide?
N-(7-formyl-1,3-benzodioxol-5-yl)acetamide has a molecular weight of 207.18 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-formyl-1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 84779325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).