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

C15H21NO — CID 106986527

IUPAC5-tert-butyl-3-propyl-1,3-dihydroindol-2-one
SMILESCCCC1C(=O)Nc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C15H21NO/c1-5-6-11-12-9-10(15(2,3)4)7-8-13(12)16-14(11)17/h7-9,11H,5-6H2,1-4H3,(H,16,17)
InChIKeyRMJUNSUBZCTDSG-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.82
Rot. Bonds2

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

5-tert-butyl-3-propyl-1,3-dihydroindol-2-one (PubChem CID 106986527) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 5-tert-butyl-3-propyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-tert-butyl-3-propyl-1,3-dihydroindol-2-one
PubChem CID106986527
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name5-tert-butyl-3-propyl-1,3-dihydroindol-2-one
SMILESCCCC1C(=O)Nc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C15H21NO/c1-5-6-11-12-9-10(15(2,3)4)7-8-13(12)16-14(11)17/h7-9,11H,5-6H2,1-4H3,(H,16,17)
InChIKeyRMJUNSUBZCTDSG-UHFFFAOYSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-tert-butyl-3-ethyl-1,3-dihydroindol-2-one
CID 106987056
3-amino-5-tert-butyl-1,3-dihydroindol-2-one;hydrochloride
CID 75480418
6-tert-butyl-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one
CID 84627180
3-butyl-5-methoxy-1,3-dihydroindol-2-one
CID 103846259
5-fluoro-3-nonyl-1,3-dihydroindol-2-one
CID 106987039
5-bromo-3-nonyl-1,3-dihydroindol-2-one
CID 106987050
6-tert-butyl-4-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one
CID 84627501
3-heptyl-5-nitro-1,3-dihydroindol-2-one
CID 106987083
methyl 2-oxo-3-propyl-1,3-dihydroindole-6-carboxylate
CID 86099334
3-hexyl-1,3-dihydroindol-2-one
CID 106986515
5-(difluoromethoxy)-3-heptyl-1,3-dihydroindol-2-one
CID 106987093
(3S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 26367241

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-propyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-tert-butyl-3-propyl-1,3-dihydroindol-2-one (CID 106986527) is 5-tert-butyl-3-propyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-tert-butyl-3-propyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-tert-butyl-3-propyl-1,3-dihydroindol-2-one is CCCC1C(=O)Nc2ccc(C(C)(C)C)cc21.
What is the InChIKey of 5-tert-butyl-3-propyl-1,3-dihydroindol-2-one?
The InChIKey is RMJUNSUBZCTDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-5-6-11-12-9-10(15(2,3)4)7-8-13(12)16-14(11)17/h7-9,11H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 5-tert-butyl-3-propyl-1,3-dihydroindol-2-one?
5-tert-butyl-3-propyl-1,3-dihydroindol-2-one has a molecular weight of 231.34 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-propyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 106986527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).