N-(6-oxo-7,8-dihydrocyclopenta[g][1,3]benzodioxol-5-yl)acetamide

C12H11NO4 — CID 166490529

IUPACN-(6-oxo-7,8-dihydrocyclopenta[g][1,3]benzodioxol-5-yl)acetamide
SMILESCC(=O)Nc1cc2c(c3c1C(=O)CC3)OCO2
InChIInChI=1S/C12H11NO4/c1-6(14)13-8-4-10-12(17-5-16-10)7-2-3-9(15)11(7)8/h4H,2-3,5H2,1H3,(H,13,14)
InChIKeyMWJMRFFBILAKQX-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.50
Rot. Bonds1

About N-(6-oxo-7,8-dihydrocyclopenta[g][1,3]benzodioxol-5-yl)acetamide

N-(6-oxo-7,8-dihydrocyclopenta[g][1,3]benzodioxol-5-yl)acetamide (PubChem CID 166490529) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is N-(6-oxo-7,8-dihydrocyclopenta[g][1,3]benzodioxol-5-yl)acetamide.

Molecular Properties

Compound NameN-(6-oxo-7,8-dihydrocyclopenta[g][1,3]benzodioxol-5-yl)acetamide
PubChem CID166490529
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC NameN-(6-oxo-7,8-dihydrocyclopenta[g][1,3]benzodioxol-5-yl)acetamide
SMILESCC(=O)Nc1cc2c(c3c1C(=O)CC3)OCO2
InChIInChI=1S/C12H11NO4/c1-6(14)13-8-4-10-12(17-5-16-10)7-2-3-9(15)11(7)8/h4H,2-3,5H2,1H3,(H,13,14)
InChIKeyMWJMRFFBILAKQX-UHFFFAOYSA-N
XLogP1.50
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(7-hydroxyimino-6-oxo-8,9-dihydrobenzo[g][1,3]benzodioxol-5-yl)acetamide
CID 177278517
N-(7-methyl-1,3-benzodioxol-5-yl)acetamide
CID 59429949
N-[7-methoxy-6-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]-1,3-benzodioxol-5-yl]acetamide
CID 15986589
N-(7-formyl-1,3-benzodioxol-5-yl)acetamide
CID 84779325
N-(6-formyl-5-methoxy-1,3-benzodioxol-4-yl)acetamide
CID 84798418
N-[(3S,7R,9S)-5,19-dimethoxy-6-oxo-15,17-dioxapentacyclo[10.7.0.02,8.03,7.014,18]nonadeca-1(19),2(8),4,12,14(18)-pentaen-9-yl]acetamide
CID 162955106
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-methylcyclopropane-1-carboxamide
CID 47099404
N-(1-acetyl-7,8-dimethoxy-4-oxo-2,3-dihydroquinolin-5-yl)acetamide
CID 11781721
(6-methyl-1,3-benzodioxol-4-yl) acetate
CID 59796488
N-(3-acetamido-4-methoxyphenyl)-7-chloro-1,3-benzodioxole-5-carboxamide
CID 24668298
dimethyl (12S,13S)-3,22-dimethoxy-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaene-12,13-dicarboxylate
CID 134831926
N-(6-acetyl-1,3-benzodioxol-5-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 51262064

Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-7,8-dihydrocyclopenta[g][1,3]benzodioxol-5-yl)acetamide?
The IUPAC name of N-(6-oxo-7,8-dihydrocyclopenta[g][1,3]benzodioxol-5-yl)acetamide (CID 166490529) is N-(6-oxo-7,8-dihydrocyclopenta[g][1,3]benzodioxol-5-yl)acetamide.
What is the SMILES notation for N-(6-oxo-7,8-dihydrocyclopenta[g][1,3]benzodioxol-5-yl)acetamide?
The canonical SMILES for N-(6-oxo-7,8-dihydrocyclopenta[g][1,3]benzodioxol-5-yl)acetamide is CC(=O)Nc1cc2c(c3c1C(=O)CC3)OCO2.
What is the InChIKey of N-(6-oxo-7,8-dihydrocyclopenta[g][1,3]benzodioxol-5-yl)acetamide?
The InChIKey is MWJMRFFBILAKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-6(14)13-8-4-10-12(17-5-16-10)7-2-3-9(15)11(7)8/h4H,2-3,5H2,1H3,(H,13,14).
What are the key properties of N-(6-oxo-7,8-dihydrocyclopenta[g][1,3]benzodioxol-5-yl)acetamide?
N-(6-oxo-7,8-dihydrocyclopenta[g][1,3]benzodioxol-5-yl)acetamide has a molecular weight of 233.22 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-7,8-dihydrocyclopenta[g][1,3]benzodioxol-5-yl)acetamide is sourced from PubChem (CID 166490529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).