5-(4-aminooxybutyl)-1,3-dihydroindol-2-one

C12H16N2O2 — CID 95443741

IUPAC5-(4-aminooxybutyl)-1,3-dihydroindol-2-one
SMILESNOCCCCc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C12H16N2O2/c13-16-6-2-1-3-9-4-5-11-10(7-9)8-12(15)14-11/h4-5,7H,1-3,6,8,13H2,(H,14,15)
InChIKeyNFERYKNLAAYQSL-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.39
Rot. Bonds5

About 5-(4-aminooxybutyl)-1,3-dihydroindol-2-one

5-(4-aminooxybutyl)-1,3-dihydroindol-2-one (PubChem CID 95443741) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 5-(4-aminooxybutyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(4-aminooxybutyl)-1,3-dihydroindol-2-one
PubChem CID95443741
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name5-(4-aminooxybutyl)-1,3-dihydroindol-2-one
SMILESNOCCCCc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C12H16N2O2/c13-16-6-2-1-3-9-4-5-11-10(7-9)8-12(15)14-11/h4-5,7H,1-3,6,8,13H2,(H,14,15)
InChIKeyNFERYKNLAAYQSL-UHFFFAOYSA-N
XLogP1.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4-aminooxybutyl)-1,3-dihydroindol-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-(4-aminobutyl)-1,3-dihydroindol-2-one
CID 82190436
5-butyl-1,3-dihydroindol-2-one
CID 10219749
5-(2-hydroxyethyl)-1,3-dihydroindol-2-one
CID 22131131
5-(4-oxopentyl)-1,3-dihydroindol-2-one
CID 116927752
5-(4-amino-3-methylbutyl)-1,3-dihydroindol-2-one
CID 116924938
(2-oxo-1,3-dihydroindol-5-yl)methylazanium
CID 25324745
5-(methoxymethyl)-1,3-dihydroindol-2-one
CID 22154148
5-[2-(hydroxymethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115229299
5-[2-(hydrazinylmethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115261107
2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde
CID 116927299
5-[3-(cyclopentylamino)propyl]-1,3-dihydroindol-2-one
CID 98016927
2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 82490915

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminooxybutyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(4-aminooxybutyl)-1,3-dihydroindol-2-one (CID 95443741) is 5-(4-aminooxybutyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(4-aminooxybutyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(4-aminooxybutyl)-1,3-dihydroindol-2-one is NOCCCCc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-(4-aminooxybutyl)-1,3-dihydroindol-2-one?
The InChIKey is NFERYKNLAAYQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-16-6-2-1-3-9-4-5-11-10(7-9)8-12(15)14-11/h4-5,7H,1-3,6,8,13H2,(H,14,15).
What are the key properties of 5-(4-aminooxybutyl)-1,3-dihydroindol-2-one?
5-(4-aminooxybutyl)-1,3-dihydroindol-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminooxybutyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 95443741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).