3-(1-butyl-2-oxo-3H-indol-3-yl)-1-methyl-3H-indol-2-one

C21H22N2O2 — CID 101259896

IUPAC3-(1-butyl-2-oxo-3H-indol-3-yl)-1-methyl-3H-indol-2-one
SMILESCCCCN1C(=O)C(C2C(=O)N(C)c3ccccc32)c2ccccc21
InChIInChI=1S/C21H22N2O2/c1-3-4-13-23-17-12-8-6-10-15(17)19(21(23)25)18-14-9-5-7-11-16(14)22(2)20(18)24/h5-12,18-19H,3-4,13H2,1-2H3
InChIKeyKCSLBNSXQACCEJ-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.68
Rot. Bonds4

About 3-(1-butyl-2-oxo-3H-indol-3-yl)-1-methyl-3H-indol-2-one

3-(1-butyl-2-oxo-3H-indol-3-yl)-1-methyl-3H-indol-2-one (PubChem CID 101259896) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-(1-butyl-2-oxo-3H-indol-3-yl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name3-(1-butyl-2-oxo-3H-indol-3-yl)-1-methyl-3H-indol-2-one
PubChem CID101259896
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name3-(1-butyl-2-oxo-3H-indol-3-yl)-1-methyl-3H-indol-2-one
SMILESCCCCN1C(=O)C(C2C(=O)N(C)c3ccccc32)c2ccccc21
InChIInChI=1S/C21H22N2O2/c1-3-4-13-23-17-12-8-6-10-15(17)19(21(23)25)18-14-9-5-7-11-16(14)22(2)20(18)24/h5-12,18-19H,3-4,13H2,1-2H3
InChIKeyKCSLBNSXQACCEJ-UHFFFAOYSA-N
XLogP3.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3aS,11bR)-2-butyl-3a,11b-dihydrophenanthro[9,10-c]pyrrole-1,3-dione
CID 7832380
(3aS,11bS)-2-butyl-3a,11b-dihydrophenanthro[9,10-c]pyrrole-1,3-dione
CID 7832379
(3R)-1-methyl-3-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-3H-indol-2-one
CID 102025482
3-(butylamino)-1-methyl-3H-indol-2-one
CID 82238881
3-hydroxy-1-propyl-3H-indol-2-one
CID 90417958
(2-oxo-1-pentyl-3H-indol-3-yl)carbamic acid
CID 69107894
(3R)-3-ethyl-1-methyl-3H-indol-2-one
CID 51382688
(3R)-1-butyl-3-methyl-3,4-dihydroquinoxalin-2-one
CID 94764092
3-(2-oxo-1-pentyl-3H-indol-3-yl)propanenitrile
CID 56985284
(3S)-3-cyclohexyl-1-methyl-3H-indol-2-one
CID 135061670
4,6-dimethyl-4a,10b-dihydropyrano[3,2-c]quinoline-2,5-dione
CID 5050390
(4aR,10bS)-4,6-dimethyl-4a,10b-dihydropyrano[3,2-c]quinoline-2,5-dione
CID 40534710

Frequently Asked Questions

What is the IUPAC name of 3-(1-butyl-2-oxo-3H-indol-3-yl)-1-methyl-3H-indol-2-one?
The IUPAC name of 3-(1-butyl-2-oxo-3H-indol-3-yl)-1-methyl-3H-indol-2-one (CID 101259896) is 3-(1-butyl-2-oxo-3H-indol-3-yl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 3-(1-butyl-2-oxo-3H-indol-3-yl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 3-(1-butyl-2-oxo-3H-indol-3-yl)-1-methyl-3H-indol-2-one is CCCCN1C(=O)C(C2C(=O)N(C)c3ccccc32)c2ccccc21.
What is the InChIKey of 3-(1-butyl-2-oxo-3H-indol-3-yl)-1-methyl-3H-indol-2-one?
The InChIKey is KCSLBNSXQACCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-3-4-13-23-17-12-8-6-10-15(17)19(21(23)25)18-14-9-5-7-11-16(14)22(2)20(18)24/h5-12,18-19H,3-4,13H2,1-2H3.
What are the key properties of 3-(1-butyl-2-oxo-3H-indol-3-yl)-1-methyl-3H-indol-2-one?
3-(1-butyl-2-oxo-3H-indol-3-yl)-1-methyl-3H-indol-2-one has a molecular weight of 334.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butyl-2-oxo-3H-indol-3-yl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 101259896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).