1-acetyl-3-benzyl-3-methylindol-2-one

C18H17NO2 — CID 102230524

IUPAC1-acetyl-3-benzyl-3-methylindol-2-one
SMILESCC(=O)N1C(=O)C(C)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C18H17NO2/c1-13(20)19-16-11-7-6-10-15(16)18(2,17(19)21)12-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3
InChIKeyCWRYJGSVVAPNPS-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.08
Rot. Bonds2

About 1-acetyl-3-benzyl-3-methylindol-2-one

1-acetyl-3-benzyl-3-methylindol-2-one (PubChem CID 102230524) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-acetyl-3-benzyl-3-methylindol-2-one.

Molecular Properties

Compound Name1-acetyl-3-benzyl-3-methylindol-2-one
PubChem CID102230524
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name1-acetyl-3-benzyl-3-methylindol-2-one
SMILESCC(=O)N1C(=O)C(C)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C18H17NO2/c1-13(20)19-16-11-7-6-10-15(16)18(2,17(19)21)12-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3
InChIKeyCWRYJGSVVAPNPS-UHFFFAOYSA-N
XLogP3.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-benzyl-3-methylindol-2-one?
The IUPAC name of 1-acetyl-3-benzyl-3-methylindol-2-one (CID 102230524) is 1-acetyl-3-benzyl-3-methylindol-2-one.
What is the SMILES notation for 1-acetyl-3-benzyl-3-methylindol-2-one?
The canonical SMILES for 1-acetyl-3-benzyl-3-methylindol-2-one is CC(=O)N1C(=O)C(C)(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 1-acetyl-3-benzyl-3-methylindol-2-one?
The InChIKey is CWRYJGSVVAPNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-13(20)19-16-11-7-6-10-15(16)18(2,17(19)21)12-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3.
What are the key properties of 1-acetyl-3-benzyl-3-methylindol-2-one?
1-acetyl-3-benzyl-3-methylindol-2-one has a molecular weight of 279.34 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-benzyl-3-methylindol-2-one is sourced from PubChem (CID 102230524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).