N-(6-acetyl-1,3-benzodioxol-5-yl)formamide

C10H9NO4 — CID 12695157

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)formamide
SMILESCC(=O)c1cc2c(cc1NC=O)OCO2
InChIInChI=1S/C10H9NO4/c1-6(13)7-2-9-10(15-5-14-9)3-8(7)11-4-12/h2-4H,5H2,1H3,(H,11,12)
InChIKeyFJYAJZNWPVFDHC-UHFFFAOYSA-N
MW207.18 g/mol
LogP1.19
Rot. Bonds3

About N-(6-acetyl-1,3-benzodioxol-5-yl)formamide

N-(6-acetyl-1,3-benzodioxol-5-yl)formamide (PubChem CID 12695157) has the molecular formula C10H9NO4 and a molecular weight of 207.18 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)formamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)formamide
PubChem CID12695157
Molecular FormulaC10H9NO4
Molecular Weight207.18 g/mol
Exact Mass207.05
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)formamide
SMILESCC(=O)c1cc2c(cc1NC=O)OCO2
InChIInChI=1S/C10H9NO4/c1-6(13)7-2-9-10(15-5-14-9)3-8(7)11-4-12/h2-4H,5H2,1H3,(H,11,12)
InChIKeyFJYAJZNWPVFDHC-UHFFFAOYSA-N
XLogP1.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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-(6-acetyl-1,3-benzodioxol-5-yl)-2-bromo-2-methylpropanamide
CID 146349803
(2S)-N-(6-acetyl-1,3-benzodioxol-5-yl)-2-chloropropanamide
CID 40558372
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-methylcyclopropane-1-carboxamide
CID 47099404
N-(6-acetyl-1,3-benzodioxol-5-yl)-3,5-difluorobenzamide
CID 18076884
1-[6-[(3-chloro-2-hydroxypropyl)amino]-1,3-benzodioxol-5-yl]ethanone
CID 168640654
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)acetamide
CID 18076767
2-[(6-acetyl-1,3-benzodioxol-5-yl)carbamoyl]benzoate
CID 6990078
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 18084866
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 18084854
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-methylthiophene-2-carboxamide
CID 2541719
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-bromobenzenesulfonamide
CID 1448349
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-chloro-2-fluorobenzamide
CID 18089901

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)formamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)formamide (CID 12695157) is N-(6-acetyl-1,3-benzodioxol-5-yl)formamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)formamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)formamide is CC(=O)c1cc2c(cc1NC=O)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)formamide?
The InChIKey is FJYAJZNWPVFDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c1-6(13)7-2-9-10(15-5-14-9)3-8(7)11-4-12/h2-4H,5H2,1H3,(H,11,12).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)formamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)formamide has a molecular weight of 207.18 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)formamide is sourced from PubChem (CID 12695157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).