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

C12H16N2O — CID 82190436

IUPAC5-(4-aminobutyl)-1,3-dihydroindol-2-one
SMILESNCCCCc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C12H16N2O/c13-6-2-1-3-9-4-5-11-10(7-9)8-12(15)14-11/h4-5,7H,1-3,6,8,13H2,(H,14,15)
InChIKeyOZUITLSYQJJAKZ-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.46
Rot. Bonds4

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

5-(4-aminobutyl)-1,3-dihydroindol-2-one (PubChem CID 82190436) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 5-(4-aminobutyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(4-aminobutyl)-1,3-dihydroindol-2-one
PubChem CID82190436
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name5-(4-aminobutyl)-1,3-dihydroindol-2-one
SMILESNCCCCc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C12H16N2O/c13-6-2-1-3-9-4-5-11-10(7-9)8-12(15)14-11/h4-5,7H,1-3,6,8,13H2,(H,14,15)
InChIKeyOZUITLSYQJJAKZ-UHFFFAOYSA-N
XLogP1.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4-aminooxybutyl)-1,3-dihydroindol-2-one
CID 95443741
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
4-amino-N-methyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide
CID 115155349
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-[2-[4-aminobutan-2-yl(methyl)amino]ethyl]-1,3-dihydroindol-2-one
CID 117040458
5-[3-(cyclopentylamino)propyl]-1,3-dihydroindol-2-one
CID 98016927

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminobutyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(4-aminobutyl)-1,3-dihydroindol-2-one (CID 82190436) is 5-(4-aminobutyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(4-aminobutyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(4-aminobutyl)-1,3-dihydroindol-2-one is NCCCCc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-(4-aminobutyl)-1,3-dihydroindol-2-one?
The InChIKey is OZUITLSYQJJAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c13-6-2-1-3-9-4-5-11-10(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-aminobutyl)-1,3-dihydroindol-2-one?
5-(4-aminobutyl)-1,3-dihydroindol-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminobutyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 82190436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).