N-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-yl)acetamide

C12H11NO2 — CID 171129746

IUPACN-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)C1C=CC2O1
InChIInChI=1S/C12H11NO2/c1-7(14)13-8-2-3-9-10(6-8)12-5-4-11(9)15-12/h2-6,11-12H,1H3,(H,13,14)
InChIKeyIRPPEJOXBZEAMT-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.33
Rot. Bonds1

About N-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-yl)acetamide

N-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-yl)acetamide (PubChem CID 171129746) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is N-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-yl)acetamide.

Molecular Properties

Compound NameN-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-yl)acetamide
PubChem CID171129746
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC NameN-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)C1C=CC2O1
InChIInChI=1S/C12H11NO2/c1-7(14)13-8-2-3-9-10(6-8)12-5-4-11(9)15-12/h2-6,11-12H,1H3,(H,13,14)
InChIKeyIRPPEJOXBZEAMT-UHFFFAOYSA-N
XLogP2.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1,3-dioxolan-2-yl)-3-methylphenyl]acetamide
CID 163853434
N-[(1aR,7bS)-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromen-6-yl]acetamide
CID 129383167
N-[(4R)-4-amino-3,4-dihydro-1H-isochromen-7-yl]acetamide
CID 131380829
N-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13-hexaen-4-yl)acetamide
CID 155554187
N-[(1R)-1-amino-2,3-dihydro-1H-inden-5-yl]acetamide
CID 55277889
N-(3-methyl-2,3-dihydro-1H-indol-5-yl)acetamide
CID 119085478
N-(3,5-diacetamidophenyl)acetamide
CID 12731559
N-(3-methylphenyl)acetamide
CID 10843
(1S,2R,3R,4R)-3-[(3-acetamidophenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 40513258
(1R,2R,3R,4R)-3-[(3-acetamidophenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 100724821
(1R,2R,3R,4S)-3-[(3-acetamidophenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 100724804
N-(4-ethyl-3,4-dihydro-2H-chromen-7-yl)acetamide
CID 22218129

Frequently Asked Questions

What is the IUPAC name of N-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-yl)acetamide?
The IUPAC name of N-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-yl)acetamide (CID 171129746) is N-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-yl)acetamide.
What is the SMILES notation for N-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-yl)acetamide?
The canonical SMILES for N-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-yl)acetamide is CC(=O)Nc1ccc2c(c1)C1C=CC2O1.
What is the InChIKey of N-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-yl)acetamide?
The InChIKey is IRPPEJOXBZEAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-7(14)13-8-2-3-9-10(6-8)12-5-4-11(9)15-12/h2-6,11-12H,1H3,(H,13,14).
What are the key properties of N-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-yl)acetamide?
N-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-yl)acetamide has a molecular weight of 201.22 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-yl)acetamide is sourced from PubChem (CID 171129746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).