1-butyl-3-hydroxy-3-(2-oxopropyl)indol-2-one

C15H19NO3 — CID 18888241

IUPAC1-butyl-3-hydroxy-3-(2-oxopropyl)indol-2-one
SMILESCCCCN1C(=O)C(O)(CC(C)=O)c2ccccc21
InChIInChI=1S/C15H19NO3/c1-3-4-9-16-13-8-6-5-7-12(13)15(19,14(16)18)10-11(2)17/h5-8,19H,3-4,9-10H2,1-2H3
InChIKeyLXNHMRXSTLKRNE-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.00
Rot. Bonds5

About 1-butyl-3-hydroxy-3-(2-oxopropyl)indol-2-one

1-butyl-3-hydroxy-3-(2-oxopropyl)indol-2-one (PubChem CID 18888241) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-butyl-3-hydroxy-3-(2-oxopropyl)indol-2-one.

Molecular Properties

Compound Name1-butyl-3-hydroxy-3-(2-oxopropyl)indol-2-one
PubChem CID18888241
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-butyl-3-hydroxy-3-(2-oxopropyl)indol-2-one
SMILESCCCCN1C(=O)C(O)(CC(C)=O)c2ccccc21
InChIInChI=1S/C15H19NO3/c1-3-4-9-16-13-8-6-5-7-12(13)15(19,14(16)18)10-11(2)17/h5-8,19H,3-4,9-10H2,1-2H3
InChIKeyLXNHMRXSTLKRNE-UHFFFAOYSA-N
XLogP2.00
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-3-hydroxy-5-methyl-3-(2-oxopropyl)indol-2-one
CID 18888271
(3S)-1-butyl-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 2056627
(3R)-1-butyl-3-hydroxy-7-methyl-3-(2-oxopropyl)indol-2-one
CID 41254776
(3S)-1-butyl-3-hydroxy-3-[2-oxo-2-(4-pyrrol-1-ylphenyl)ethyl]indol-2-one
CID 7106059
(3S)-1-hexyl-3-hydroxy-3-[(2S)-2-hydroxypropyl]indol-2-one
CID 9177416
3-hydroxy-1-(3-naphthalen-1-yloxypropyl)-3-(2-oxopropyl)indol-2-one
CID 6499622
(3S)-1-butyl-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 7281128
(3R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-1-butyl-3-hydroxyindol-2-one
CID 7281165
3-hydroxy-7-methyl-1-nonyl-3-(2-oxopropyl)indol-2-one
CID 18888313
(3R)-1-butyl-3-hydroxy-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]indol-2-one
CID 7334093
(3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-propylindol-2-one
CID 7280995
7-chloro-3-hydroxy-1-octyl-3-(2-oxopropyl)indol-2-one
CID 18888515

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-hydroxy-3-(2-oxopropyl)indol-2-one?
The IUPAC name of 1-butyl-3-hydroxy-3-(2-oxopropyl)indol-2-one (CID 18888241) is 1-butyl-3-hydroxy-3-(2-oxopropyl)indol-2-one.
What is the SMILES notation for 1-butyl-3-hydroxy-3-(2-oxopropyl)indol-2-one?
The canonical SMILES for 1-butyl-3-hydroxy-3-(2-oxopropyl)indol-2-one is CCCCN1C(=O)C(O)(CC(C)=O)c2ccccc21.
What is the InChIKey of 1-butyl-3-hydroxy-3-(2-oxopropyl)indol-2-one?
The InChIKey is LXNHMRXSTLKRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-4-9-16-13-8-6-5-7-12(13)15(19,14(16)18)10-11(2)17/h5-8,19H,3-4,9-10H2,1-2H3.
What are the key properties of 1-butyl-3-hydroxy-3-(2-oxopropyl)indol-2-one?
1-butyl-3-hydroxy-3-(2-oxopropyl)indol-2-one has a molecular weight of 261.32 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-hydroxy-3-(2-oxopropyl)indol-2-one is sourced from PubChem (CID 18888241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).