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

C12H15NO — CID 10219749

IUPAC5-butyl-1,3-dihydroindol-2-one
SMILESCCCCc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C12H15NO/c1-2-3-4-9-5-6-11-10(7-9)8-12(14)13-11/h5-7H,2-4,8H2,1H3,(H,13,14)
InChIKeyJSUXWKVCRKZYRP-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.52
Rot. Bonds3

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

5-butyl-1,3-dihydroindol-2-one (PubChem CID 10219749) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 5-butyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-butyl-1,3-dihydroindol-2-one
PubChem CID10219749
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name5-butyl-1,3-dihydroindol-2-one
SMILESCCCCc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C12H15NO/c1-2-3-4-9-5-6-11-10(7-9)8-12(14)13-11/h5-7H,2-4,8H2,1H3,(H,13,14)
InChIKeyJSUXWKVCRKZYRP-UHFFFAOYSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4-oxopentyl)-1,3-dihydroindol-2-one
CID 116927752
5-(4-aminobutyl)-1,3-dihydroindol-2-one
CID 82190436
5-(2-hydroxyethyl)-1,3-dihydroindol-2-one
CID 22131131
5-(4-aminooxybutyl)-1,3-dihydroindol-2-one
CID 95443741
N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propane-1-sulfonamide
CID 110788490
(2-oxo-1,3-dihydroindol-5-yl)methylazanium
CID 25324745
5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydroindol-2-one
CID 115197988
5-(methoxymethyl)-1,3-dihydroindol-2-one
CID 22154148
5-[2-(hydroxymethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115229299
5-(4-amino-3-methylbutyl)-1,3-dihydroindol-2-one
CID 116924938
3,8-di(nonyl)-6,11-dihydro-5H-benzo[b][1]benzazepine
CID 170778877
2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde
CID 116927299

Frequently Asked Questions

What is the IUPAC name of 5-butyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-butyl-1,3-dihydroindol-2-one (CID 10219749) is 5-butyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-butyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-butyl-1,3-dihydroindol-2-one is CCCCc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-butyl-1,3-dihydroindol-2-one?
The InChIKey is JSUXWKVCRKZYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-3-4-9-5-6-11-10(7-9)8-12(14)13-11/h5-7H,2-4,8H2,1H3,(H,13,14).
What are the key properties of 5-butyl-1,3-dihydroindol-2-one?
5-butyl-1,3-dihydroindol-2-one has a molecular weight of 189.26 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 10219749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).