3-butan-2-yl-4,6-dimethyl-1,3-dihydroindol-2-one

C14H19NO — CID 129129581

IUPAC3-butan-2-yl-4,6-dimethyl-1,3-dihydroindol-2-one
SMILESCCC(C)C1C(=O)Nc2cc(C)cc(C)c21
InChIInChI=1S/C14H19NO/c1-5-9(3)13-12-10(4)6-8(2)7-11(12)15-14(13)16/h6-7,9,13H,5H2,1-4H3,(H,15,16)
InChIKeyTZBJHIOWHHXKJW-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.39
Rot. Bonds2

About 3-butan-2-yl-4,6-dimethyl-1,3-dihydroindol-2-one

3-butan-2-yl-4,6-dimethyl-1,3-dihydroindol-2-one (PubChem CID 129129581) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-butan-2-yl-4,6-dimethyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-butan-2-yl-4,6-dimethyl-1,3-dihydroindol-2-one
PubChem CID129129581
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3-butan-2-yl-4,6-dimethyl-1,3-dihydroindol-2-one
SMILESCCC(C)C1C(=O)Nc2cc(C)cc(C)c21
InChIInChI=1S/C14H19NO/c1-5-9(3)13-12-10(4)6-8(2)7-11(12)15-14(13)16/h6-7,9,13H,5H2,1-4H3,(H,15,16)
InChIKeyTZBJHIOWHHXKJW-UHFFFAOYSA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-4,6-dimethyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-butan-2-yl-4,6-dimethyl-1,3-dihydroindol-2-one (CID 129129581) is 3-butan-2-yl-4,6-dimethyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-butan-2-yl-4,6-dimethyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-butan-2-yl-4,6-dimethyl-1,3-dihydroindol-2-one is CCC(C)C1C(=O)Nc2cc(C)cc(C)c21.
What is the InChIKey of 3-butan-2-yl-4,6-dimethyl-1,3-dihydroindol-2-one?
The InChIKey is TZBJHIOWHHXKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-5-9(3)13-12-10(4)6-8(2)7-11(12)15-14(13)16/h6-7,9,13H,5H2,1-4H3,(H,15,16).
What are the key properties of 3-butan-2-yl-4,6-dimethyl-1,3-dihydroindol-2-one?
3-butan-2-yl-4,6-dimethyl-1,3-dihydroindol-2-one has a molecular weight of 217.31 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-4,6-dimethyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 129129581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).