5-[4-oxo-4-(2,3,3-trimethyl-2H-indol-1-yl)butyl]-1,3-dihydroindol-2-one

C23H26N2O2 — CID 154865923

IUPAC5-[4-oxo-4-(2,3,3-trimethyl-2H-indol-1-yl)butyl]-1,3-dihydroindol-2-one
SMILESCC1N(C(=O)CCCc2ccc3c(c2)CC(=O)N3)c2ccccc2C1(C)C
InChIInChI=1S/C23H26N2O2/c1-15-23(2,3)18-8-4-5-9-20(18)25(15)22(27)10-6-7-16-11-12-19-17(13-16)14-21(26)24-19/h4-5,8-9,11-13,15H,6-7,10,14H2,1-3H3,(H,24,26)
InChIKeyAFSROHHOCZJYCA-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.22
Rot. Bonds4

About 5-[4-oxo-4-(2,3,3-trimethyl-2H-indol-1-yl)butyl]-1,3-dihydroindol-2-one

5-[4-oxo-4-(2,3,3-trimethyl-2H-indol-1-yl)butyl]-1,3-dihydroindol-2-one (PubChem CID 154865923) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 5-[4-oxo-4-(2,3,3-trimethyl-2H-indol-1-yl)butyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[4-oxo-4-(2,3,3-trimethyl-2H-indol-1-yl)butyl]-1,3-dihydroindol-2-one
PubChem CID154865923
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name5-[4-oxo-4-(2,3,3-trimethyl-2H-indol-1-yl)butyl]-1,3-dihydroindol-2-one
SMILESCC1N(C(=O)CCCc2ccc3c(c2)CC(=O)N3)c2ccccc2C1(C)C
InChIInChI=1S/C23H26N2O2/c1-15-23(2,3)18-8-4-5-9-20(18)25(15)22(27)10-6-7-16-11-12-19-17(13-16)14-21(26)24-19/h4-5,8-9,11-13,15H,6-7,10,14H2,1-3H3,(H,24,26)
InChIKeyAFSROHHOCZJYCA-UHFFFAOYSA-N
XLogP4.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[4-oxo-4-(2,3,3-trimethyl-2H-indol-1-yl)butyl]-1,3-dihydroindol-2-one with MolForge

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Related Compounds

5-(4-oxopentyl)-1,3-dihydroindol-2-one
CID 116927752
5-[4-[(3S)-3-methoxy-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one
CID 124874611
5-[4-[(3R)-3-methylpiperazin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one
CID 124620564
5-butyl-1,3-dihydroindol-2-one
CID 10219749
(3R)-1-[4-(2-oxo-1,3-dihydroindol-5-yl)butanoyl]pyrrolidine-3-carboxylic acid
CID 125134746
5-(2-hydroxyethyl)-1,3-dihydroindol-2-one
CID 22131131
5-(4-aminobutyl)-1,3-dihydroindol-2-one
CID 82190436
N-[2-(methylamino)ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
CID 119502632
5-[4-[2-(3,4-difluorophenyl)azetidin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one
CID 154871792
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 119457848
2,2-dimethyl-1-(4-phenylbutanoyl)-3H-quinolin-4-one
CID 167644306
N-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)-N-pyrrolidin-3-ylbutanamide
CID 119552860

Frequently Asked Questions

What is the IUPAC name of 5-[4-oxo-4-(2,3,3-trimethyl-2H-indol-1-yl)butyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[4-oxo-4-(2,3,3-trimethyl-2H-indol-1-yl)butyl]-1,3-dihydroindol-2-one (CID 154865923) is 5-[4-oxo-4-(2,3,3-trimethyl-2H-indol-1-yl)butyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[4-oxo-4-(2,3,3-trimethyl-2H-indol-1-yl)butyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[4-oxo-4-(2,3,3-trimethyl-2H-indol-1-yl)butyl]-1,3-dihydroindol-2-one is CC1N(C(=O)CCCc2ccc3c(c2)CC(=O)N3)c2ccccc2C1(C)C.
What is the InChIKey of 5-[4-oxo-4-(2,3,3-trimethyl-2H-indol-1-yl)butyl]-1,3-dihydroindol-2-one?
The InChIKey is AFSROHHOCZJYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-15-23(2,3)18-8-4-5-9-20(18)25(15)22(27)10-6-7-16-11-12-19-17(13-16)14-21(26)24-19/h4-5,8-9,11-13,15H,6-7,10,14H2,1-3H3,(H,24,26).
What are the key properties of 5-[4-oxo-4-(2,3,3-trimethyl-2H-indol-1-yl)butyl]-1,3-dihydroindol-2-one?
5-[4-oxo-4-(2,3,3-trimethyl-2H-indol-1-yl)butyl]-1,3-dihydroindol-2-one has a molecular weight of 362.47 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-oxo-4-(2,3,3-trimethyl-2H-indol-1-yl)butyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 154865923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).