1-benzyl-3-(2-oxobutyl)-3H-indol-2-one

C19H19NO2 — CID 53381662

IUPAC1-benzyl-3-(2-oxobutyl)-3H-indol-2-one
SMILESCCC(=O)CC1C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C19H19NO2/c1-2-15(21)12-17-16-10-6-7-11-18(16)20(19(17)22)13-14-8-4-3-5-9-14/h3-11,17H,2,12-13H2,1H3
InChIKeyCFVZYALAZCLVJG-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.69
Rot. Bonds5

About 1-benzyl-3-(2-oxobutyl)-3H-indol-2-one

1-benzyl-3-(2-oxobutyl)-3H-indol-2-one (PubChem CID 53381662) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-benzyl-3-(2-oxobutyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-benzyl-3-(2-oxobutyl)-3H-indol-2-one
PubChem CID53381662
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name1-benzyl-3-(2-oxobutyl)-3H-indol-2-one
SMILESCCC(=O)CC1C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C19H19NO2/c1-2-15(21)12-17-16-10-6-7-11-18(16)20(19(17)22)13-14-8-4-3-5-9-14/h3-11,17H,2,12-13H2,1H3
InChIKeyCFVZYALAZCLVJG-UHFFFAOYSA-N
XLogP3.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-butyl-3H-indol-2-one
CID 134908411
3-benzyl-1-[(4-tert-butylphenyl)methyl]-3H-indol-2-one
CID 102435409
N-[(3S)-1-benzyl-2-oxo-3H-indol-3-yl]acetamide
CID 720059
1-benzyl-3-methoxy-3H-indol-2-one
CID 134908410
3-acetyl-1-benzylquinoline-2,4-dione
CID 172882979
N-(1-benzyl-2-oxo-3H-indol-3-yl)-2-phenylsulfanylacetamide
CID 56691002
1-benzyl-5-phenyl-3-propyl-5H-4,1-benzoxazepin-2-one
CID 56980414
N-[2-(1-benzyl-5-methyl-2-oxo-3H-indol-3-yl)ethyl]acetamide
CID 3736296
2-[1-benzyl-2-oxo-5-[4-(trifluoromethoxy)phenyl]-3H-indol-3-yl]acetic acid
CID 175186754
2-[3-[(3,4-dichlorophenyl)methyl]-2-oxo-3H-indol-1-yl]acetic acid
CID 10315838
ethyl 4-benzyl-3-oxo-1,4-benzoxazine-2-carboxylate
CID 10662803
3-benzyl-1-methyl-3H-indol-2-one
CID 11207126

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-oxobutyl)-3H-indol-2-one?
The IUPAC name of 1-benzyl-3-(2-oxobutyl)-3H-indol-2-one (CID 53381662) is 1-benzyl-3-(2-oxobutyl)-3H-indol-2-one.
What is the SMILES notation for 1-benzyl-3-(2-oxobutyl)-3H-indol-2-one?
The canonical SMILES for 1-benzyl-3-(2-oxobutyl)-3H-indol-2-one is CCC(=O)CC1C(=O)N(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 1-benzyl-3-(2-oxobutyl)-3H-indol-2-one?
The InChIKey is CFVZYALAZCLVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-2-15(21)12-17-16-10-6-7-11-18(16)20(19(17)22)13-14-8-4-3-5-9-14/h3-11,17H,2,12-13H2,1H3.
What are the key properties of 1-benzyl-3-(2-oxobutyl)-3H-indol-2-one?
1-benzyl-3-(2-oxobutyl)-3H-indol-2-one has a molecular weight of 293.37 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-oxobutyl)-3H-indol-2-one is sourced from PubChem (CID 53381662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).