5-butoxyindol-2-one

C12H13NO2 — CID 70354099

IUPAC5-butoxyindol-2-one
SMILESCCCCOc1ccc2c(c1)=CC(=O)N=2
InChIInChI=1S/C12H13NO2/c1-2-3-6-15-10-4-5-11-9(7-10)8-12(14)13-11/h4-5,7-8H,2-3,6H2,1H3
InChIKeyNRJAVARFGXYSNA-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.81
Rot. Bonds4

About 5-butoxyindol-2-one

5-butoxyindol-2-one (PubChem CID 70354099) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-butoxyindol-2-one.

Molecular Properties

Compound Name5-butoxyindol-2-one
PubChem CID70354099
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name5-butoxyindol-2-one
SMILESCCCCOc1ccc2c(c1)=CC(=O)N=2
InChIInChI=1S/C12H13NO2/c1-2-3-6-15-10-4-5-11-9(7-10)8-12(14)13-11/h4-5,7-8H,2-3,6H2,1H3
InChIKeyNRJAVARFGXYSNA-UHFFFAOYSA-N
XLogP0.81
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-butoxyindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(Trifluoromethoxy)indol-2-one
CID 71776005
2h-Furo[3,2-c]quinolin-4-one
CID 88322838
5-(2,2,2-Trifluoroethoxy)indol-2-one
CID 23212390
7-Fluoro-5-methoxyindol-2-one
CID 175467488
3,5-Dimethylfuro[3,2-g]quinolin-7-one
CID 129782358
Furo[3,2-g]quinolin-7-one
CID 129869574
3-Ethoxy-carbonyl-5-methoxyindole
CID 129872742
4-(2-Aminoethoxy)indol-2-one
CID 18471192
6-Methoxybenzazepin-2-one
CID 20137812
Ethyl 4-(2-oxoindol-5-yl)oxybutanoate
CID 20552943
5-Ethoxy-2-oxoindole-3-carbothialdehyde
CID 23212394
5-Methoxyindol-2-one
CID 23212395

Frequently Asked Questions

What is the IUPAC name of 5-butoxyindol-2-one?
The IUPAC name of 5-butoxyindol-2-one (CID 70354099) is 5-butoxyindol-2-one.
What is the SMILES notation for 5-butoxyindol-2-one?
The canonical SMILES for 5-butoxyindol-2-one is CCCCOc1ccc2c(c1)=CC(=O)N=2.
What is the InChIKey of 5-butoxyindol-2-one?
The InChIKey is NRJAVARFGXYSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-3-6-15-10-4-5-11-9(7-10)8-12(14)13-11/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 5-butoxyindol-2-one?
5-butoxyindol-2-one has a molecular weight of 203.24 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxyindol-2-one is sourced from PubChem (CID 70354099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).