5-tert-butyl-1,2-dihydroindol-3-one

C12H15NO — CID 90244425

IUPAC5-tert-butyl-1,2-dihydroindol-3-one
SMILESCC(C)(C)c1ccc2c(c1)C(=O)CN2
InChIInChI=1S/C12H15NO/c1-12(2,3)8-4-5-10-9(6-8)11(14)7-13-10/h4-6,13H,7H2,1-3H3
InChIKeyUHWHXCBJICMGHR-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.59
Rot. Bonds

About 5-tert-butyl-1,2-dihydroindol-3-one

5-tert-butyl-1,2-dihydroindol-3-one (PubChem CID 90244425) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 5-tert-butyl-1,2-dihydroindol-3-one.

Molecular Properties

Compound Name5-tert-butyl-1,2-dihydroindol-3-one
PubChem CID90244425
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name5-tert-butyl-1,2-dihydroindol-3-one
SMILESCC(C)(C)c1ccc2c(c1)C(=O)CN2
InChIInChI=1S/C12H15NO/c1-12(2,3)8-4-5-10-9(6-8)11(14)7-13-10/h4-6,13H,7H2,1-3H3
InChIKeyUHWHXCBJICMGHR-UHFFFAOYSA-N
XLogP2.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,2-dihydroindol-3-one?
The IUPAC name of 5-tert-butyl-1,2-dihydroindol-3-one (CID 90244425) is 5-tert-butyl-1,2-dihydroindol-3-one.
What is the SMILES notation for 5-tert-butyl-1,2-dihydroindol-3-one?
The canonical SMILES for 5-tert-butyl-1,2-dihydroindol-3-one is CC(C)(C)c1ccc2c(c1)C(=O)CN2.
What is the InChIKey of 5-tert-butyl-1,2-dihydroindol-3-one?
The InChIKey is UHWHXCBJICMGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-12(2,3)8-4-5-10-9(6-8)11(14)7-13-10/h4-6,13H,7H2,1-3H3.
What are the key properties of 5-tert-butyl-1,2-dihydroindol-3-one?
5-tert-butyl-1,2-dihydroindol-3-one has a molecular weight of 189.26 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,2-dihydroindol-3-one is sourced from PubChem (CID 90244425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).