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

C13H17NO2 — CID 103846259

IUPAC3-butyl-5-methoxy-1,3-dihydroindol-2-one
SMILESCCCCC1C(=O)Nc2ccc(OC)cc21
InChIInChI=1S/C13H17NO2/c1-3-4-5-10-11-8-9(16-2)6-7-12(11)14-13(10)15/h6-8,10H,3-5H2,1-2H3,(H,14,15)
InChIKeyHUPDPZKLLUAYMN-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.92
Rot. Bonds4

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

3-butyl-5-methoxy-1,3-dihydroindol-2-one (PubChem CID 103846259) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-butyl-5-methoxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-butyl-5-methoxy-1,3-dihydroindol-2-one
PubChem CID103846259
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-butyl-5-methoxy-1,3-dihydroindol-2-one
SMILESCCCCC1C(=O)Nc2ccc(OC)cc21
InChIInChI=1S/C13H17NO2/c1-3-4-5-10-11-8-9(16-2)6-7-12(11)14-13(10)15/h6-8,10H,3-5H2,1-2H3,(H,14,15)
InChIKeyHUPDPZKLLUAYMN-UHFFFAOYSA-N
XLogP2.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(difluoromethoxy)-3-heptyl-1,3-dihydroindol-2-one
CID 106987093
5-methoxy-3-(pentylamino)-1,3-dihydroindol-2-one
CID 114990088
5-fluoro-3-nonyl-1,3-dihydroindol-2-one
CID 106987039
5-bromo-3-nonyl-1,3-dihydroindol-2-one
CID 106987050
5-methoxy-3-(1,3,4-oxadiazol-2-ylmethyl)-1,3-dihydroindol-2-one
CID 143265224
4-ethyl-6-methoxy-3,4-dihydro-1H-quinazolin-2-one
CID 105458950
3-heptyl-5-nitro-1,3-dihydroindol-2-one
CID 106987083
3-hexyl-1,3-dihydroindol-2-one
CID 106986515
3-(aminomethyl)-6-methoxy-1,3-dihydroindol-2-one
CID 53407740
5-tert-butyl-3-propyl-1,3-dihydroindol-2-one
CID 106986527
(3R)-3-[(2-bromo-5-methoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 26367542
5-methoxy-3-(2-methylbutylamino)-1,3-dihydroindol-2-one
CID 115002941

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-methoxy-1,3-dihydroindol-2-one?
The IUPAC name of 3-butyl-5-methoxy-1,3-dihydroindol-2-one (CID 103846259) is 3-butyl-5-methoxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-butyl-5-methoxy-1,3-dihydroindol-2-one?
The canonical SMILES for 3-butyl-5-methoxy-1,3-dihydroindol-2-one is CCCCC1C(=O)Nc2ccc(OC)cc21.
What is the InChIKey of 3-butyl-5-methoxy-1,3-dihydroindol-2-one?
The InChIKey is HUPDPZKLLUAYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-4-5-10-11-8-9(16-2)6-7-12(11)14-13(10)15/h6-8,10H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 3-butyl-5-methoxy-1,3-dihydroindol-2-one?
3-butyl-5-methoxy-1,3-dihydroindol-2-one has a molecular weight of 219.28 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-methoxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 103846259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).