1-(1-methyl-2H-acenaphthylen-1-yl)ethanone

C15H14O — CID 11310341

IUPAC1-(1-methyl-2H-acenaphthylen-1-yl)ethanone
SMILESCC(=O)C1(C)Cc2cccc3cccc1c23
InChIInChI=1S/C15H14O/c1-10(16)15(2)9-12-7-3-5-11-6-4-8-13(15)14(11)12/h3-8H,9H2,1-2H3
InChIKeyIGDRZLLROWQYSP-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.24
Rot. Bonds1

About 1-(1-methyl-2H-acenaphthylen-1-yl)ethanone

1-(1-methyl-2H-acenaphthylen-1-yl)ethanone (PubChem CID 11310341) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(1-methyl-2H-acenaphthylen-1-yl)ethanone.

Molecular Properties

Compound Name1-(1-methyl-2H-acenaphthylen-1-yl)ethanone
PubChem CID11310341
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name1-(1-methyl-2H-acenaphthylen-1-yl)ethanone
SMILESCC(=O)C1(C)Cc2cccc3cccc1c23
InChIInChI=1S/C15H14O/c1-10(16)15(2)9-12-7-3-5-11-6-4-8-13(15)14(11)12/h3-8H,9H2,1-2H3
InChIKeyIGDRZLLROWQYSP-UHFFFAOYSA-N
XLogP3.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2H-acenaphthylen-1-yl)ethanone?
The IUPAC name of 1-(1-methyl-2H-acenaphthylen-1-yl)ethanone (CID 11310341) is 1-(1-methyl-2H-acenaphthylen-1-yl)ethanone.
What is the SMILES notation for 1-(1-methyl-2H-acenaphthylen-1-yl)ethanone?
The canonical SMILES for 1-(1-methyl-2H-acenaphthylen-1-yl)ethanone is CC(=O)C1(C)Cc2cccc3cccc1c23.
What is the InChIKey of 1-(1-methyl-2H-acenaphthylen-1-yl)ethanone?
The InChIKey is IGDRZLLROWQYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O/c1-10(16)15(2)9-12-7-3-5-11-6-4-8-13(15)14(11)12/h3-8H,9H2,1-2H3.
What are the key properties of 1-(1-methyl-2H-acenaphthylen-1-yl)ethanone?
1-(1-methyl-2H-acenaphthylen-1-yl)ethanone has a molecular weight of 210.28 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2H-acenaphthylen-1-yl)ethanone is sourced from PubChem (CID 11310341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).