N-(3-oxo-1,2-dihydrophenalen-2-yl)acetamide

C15H13NO2 — CID 10586071

IUPACN-(3-oxo-1,2-dihydrophenalen-2-yl)acetamide
SMILESCC(=O)NC1Cc2cccc3cccc(c23)C1=O
InChIInChI=1S/C15H13NO2/c1-9(17)16-13-8-11-6-2-4-10-5-3-7-12(14(10)11)15(13)18/h2-7,13H,8H2,1H3,(H,16,17)
InChIKeyDMYZTRHRDBAQIA-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.08
Rot. Bonds1

About N-(3-oxo-1,2-dihydrophenalen-2-yl)acetamide

N-(3-oxo-1,2-dihydrophenalen-2-yl)acetamide (PubChem CID 10586071) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(3-oxo-1,2-dihydrophenalen-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-oxo-1,2-dihydrophenalen-2-yl)acetamide
PubChem CID10586071
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC NameN-(3-oxo-1,2-dihydrophenalen-2-yl)acetamide
SMILESCC(=O)NC1Cc2cccc3cccc(c23)C1=O
InChIInChI=1S/C15H13NO2/c1-9(17)16-13-8-11-6-2-4-10-5-3-7-12(14(10)11)15(13)18/h2-7,13H,8H2,1H3,(H,16,17)
InChIKeyDMYZTRHRDBAQIA-UHFFFAOYSA-N
XLogP2.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-1,2-dihydrophenalen-2-yl)acetamide?
The IUPAC name of N-(3-oxo-1,2-dihydrophenalen-2-yl)acetamide (CID 10586071) is N-(3-oxo-1,2-dihydrophenalen-2-yl)acetamide.
What is the SMILES notation for N-(3-oxo-1,2-dihydrophenalen-2-yl)acetamide?
The canonical SMILES for N-(3-oxo-1,2-dihydrophenalen-2-yl)acetamide is CC(=O)NC1Cc2cccc3cccc(c23)C1=O.
What is the InChIKey of N-(3-oxo-1,2-dihydrophenalen-2-yl)acetamide?
The InChIKey is DMYZTRHRDBAQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-9(17)16-13-8-11-6-2-4-10-5-3-7-12(14(10)11)15(13)18/h2-7,13H,8H2,1H3,(H,16,17).
What are the key properties of N-(3-oxo-1,2-dihydrophenalen-2-yl)acetamide?
N-(3-oxo-1,2-dihydrophenalen-2-yl)acetamide has a molecular weight of 239.27 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-1,2-dihydrophenalen-2-yl)acetamide is sourced from PubChem (CID 10586071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).