1-methyl-3-(2-methyl-4-oxopentan-2-yl)-3H-indol-2-one

C15H19NO2 — CID 12015253

IUPAC1-methyl-3-(2-methyl-4-oxopentan-2-yl)-3H-indol-2-one
SMILESCC(=O)CC(C)(C)C1C(=O)N(C)c2ccccc21
InChIInChI=1S/C15H19NO2/c1-10(17)9-15(2,3)13-11-7-5-6-8-12(11)16(4)14(13)18/h5-8,13H,9H2,1-4H3
InChIKeyIDTUBSHLGUUOAU-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.75
Rot. Bonds3

About 1-methyl-3-(2-methyl-4-oxopentan-2-yl)-3H-indol-2-one

1-methyl-3-(2-methyl-4-oxopentan-2-yl)-3H-indol-2-one (PubChem CID 12015253) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-methyl-3-(2-methyl-4-oxopentan-2-yl)-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-3-(2-methyl-4-oxopentan-2-yl)-3H-indol-2-one
PubChem CID12015253
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-methyl-3-(2-methyl-4-oxopentan-2-yl)-3H-indol-2-one
SMILESCC(=O)CC(C)(C)C1C(=O)N(C)c2ccccc21
InChIInChI=1S/C15H19NO2/c1-10(17)9-15(2,3)13-11-7-5-6-8-12(11)16(4)14(13)18/h5-8,13H,9H2,1-4H3
InChIKeyIDTUBSHLGUUOAU-UHFFFAOYSA-N
XLogP2.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methyl-4-oxopentan-2-yl)-3H-indol-2-one?
The IUPAC name of 1-methyl-3-(2-methyl-4-oxopentan-2-yl)-3H-indol-2-one (CID 12015253) is 1-methyl-3-(2-methyl-4-oxopentan-2-yl)-3H-indol-2-one.
What is the SMILES notation for 1-methyl-3-(2-methyl-4-oxopentan-2-yl)-3H-indol-2-one?
The canonical SMILES for 1-methyl-3-(2-methyl-4-oxopentan-2-yl)-3H-indol-2-one is CC(=O)CC(C)(C)C1C(=O)N(C)c2ccccc21.
What is the InChIKey of 1-methyl-3-(2-methyl-4-oxopentan-2-yl)-3H-indol-2-one?
The InChIKey is IDTUBSHLGUUOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10(17)9-15(2,3)13-11-7-5-6-8-12(11)16(4)14(13)18/h5-8,13H,9H2,1-4H3.
What are the key properties of 1-methyl-3-(2-methyl-4-oxopentan-2-yl)-3H-indol-2-one?
1-methyl-3-(2-methyl-4-oxopentan-2-yl)-3H-indol-2-one has a molecular weight of 245.32 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methyl-4-oxopentan-2-yl)-3H-indol-2-one is sourced from PubChem (CID 12015253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).