1-benzyl-3-butyl-3H-indol-2-one

C19H21NO — CID 134908411

IUPAC1-benzyl-3-butyl-3H-indol-2-one
SMILESCCCCC1C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C19H21NO/c1-2-3-11-17-16-12-7-8-13-18(16)20(19(17)21)14-15-9-5-4-6-10-15/h4-10,12-13,17H,2-3,11,14H2,1H3
InChIKeyXFQLQSMLFWJHTI-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.51
Rot. Bonds5

About 1-benzyl-3-butyl-3H-indol-2-one

1-benzyl-3-butyl-3H-indol-2-one (PubChem CID 134908411) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-benzyl-3-butyl-3H-indol-2-one.

Molecular Properties

Compound Name1-benzyl-3-butyl-3H-indol-2-one
PubChem CID134908411
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1-benzyl-3-butyl-3H-indol-2-one
SMILESCCCCC1C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C19H21NO/c1-2-3-11-17-16-12-7-8-13-18(16)20(19(17)21)14-15-9-5-4-6-10-15/h4-10,12-13,17H,2-3,11,14H2,1H3
InChIKeyXFQLQSMLFWJHTI-UHFFFAOYSA-N
XLogP4.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-(2-oxobutyl)-3H-indol-2-one
CID 53381662
3-benzyl-1-[(4-tert-butylphenyl)methyl]-3H-indol-2-one
CID 102435409
1-benzyl-3-methoxy-3H-indol-2-one
CID 134908410
3-(2-oxo-1-pentyl-3H-indol-3-yl)propanenitrile
CID 56985284
1-benzyl-5-phenyl-3-propyl-5H-4,1-benzoxazepin-2-one
CID 56980414
1-benzyl-4-butylpyrazolidine-3,5-dione
CID 21492858
N-[(3S)-1-benzyl-2-oxo-3H-indol-3-yl]acetamide
CID 720059
3-acetyl-1-benzylquinoline-2,4-dione
CID 172882979
N-[2-(1-benzyl-5-methyl-2-oxo-3H-indol-3-yl)ethyl]acetamide
CID 3736296
(2Z)-2-(1-benzyl-2-oxoindol-3-ylidene)hexanenitrile
CID 102387405
N-[(3S)-1-[(4-butoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178339
3-benzyl-1-methyl-3H-indol-2-one
CID 11207126

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-butyl-3H-indol-2-one?
The IUPAC name of 1-benzyl-3-butyl-3H-indol-2-one (CID 134908411) is 1-benzyl-3-butyl-3H-indol-2-one.
What is the SMILES notation for 1-benzyl-3-butyl-3H-indol-2-one?
The canonical SMILES for 1-benzyl-3-butyl-3H-indol-2-one is CCCCC1C(=O)N(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 1-benzyl-3-butyl-3H-indol-2-one?
The InChIKey is XFQLQSMLFWJHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-2-3-11-17-16-12-7-8-13-18(16)20(19(17)21)14-15-9-5-4-6-10-15/h4-10,12-13,17H,2-3,11,14H2,1H3.
What are the key properties of 1-benzyl-3-butyl-3H-indol-2-one?
1-benzyl-3-butyl-3H-indol-2-one has a molecular weight of 279.38 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-butyl-3H-indol-2-one is sourced from PubChem (CID 134908411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).