N-(8,9-dihydro-7H-benzo[7]annulen-5-yl)acetamide

C13H15NO — CID 102233949

IUPACN-(8,9-dihydro-7H-benzo[7]annulen-5-yl)acetamide
SMILESCC(=O)NC1=CCCCc2ccccc21
InChIInChI=1S/C13H15NO/c1-10(15)14-13-9-5-3-7-11-6-2-4-8-12(11)13/h2,4,6,8-9H,3,5,7H2,1H3,(H,14,15)
InChIKeyPNGCDQJXTPXQJJ-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.50
Rot. Bonds1

About N-(8,9-dihydro-7H-benzo[7]annulen-5-yl)acetamide

N-(8,9-dihydro-7H-benzo[7]annulen-5-yl)acetamide (PubChem CID 102233949) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(8,9-dihydro-7H-benzo[7]annulen-5-yl)acetamide.

Molecular Properties

Compound NameN-(8,9-dihydro-7H-benzo[7]annulen-5-yl)acetamide
PubChem CID102233949
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC NameN-(8,9-dihydro-7H-benzo[7]annulen-5-yl)acetamide
SMILESCC(=O)NC1=CCCCc2ccccc21
InChIInChI=1S/C13H15NO/c1-10(15)14-13-9-5-3-7-11-6-2-4-8-12(11)13/h2,4,6,8-9H,3,5,7H2,1H3,(H,14,15)
InChIKeyPNGCDQJXTPXQJJ-UHFFFAOYSA-N
XLogP2.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(8,9-dihydro-7H-benzo[7]annulen-5-yl)acetamide?
The IUPAC name of N-(8,9-dihydro-7H-benzo[7]annulen-5-yl)acetamide (CID 102233949) is N-(8,9-dihydro-7H-benzo[7]annulen-5-yl)acetamide.
What is the SMILES notation for N-(8,9-dihydro-7H-benzo[7]annulen-5-yl)acetamide?
The canonical SMILES for N-(8,9-dihydro-7H-benzo[7]annulen-5-yl)acetamide is CC(=O)NC1=CCCCc2ccccc21.
What is the InChIKey of N-(8,9-dihydro-7H-benzo[7]annulen-5-yl)acetamide?
The InChIKey is PNGCDQJXTPXQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-10(15)14-13-9-5-3-7-11-6-2-4-8-12(11)13/h2,4,6,8-9H,3,5,7H2,1H3,(H,14,15).
What are the key properties of N-(8,9-dihydro-7H-benzo[7]annulen-5-yl)acetamide?
N-(8,9-dihydro-7H-benzo[7]annulen-5-yl)acetamide has a molecular weight of 201.27 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8,9-dihydro-7H-benzo[7]annulen-5-yl)acetamide is sourced from PubChem (CID 102233949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).