1-[2-(2-aminoethoxy)ethyl]benzo[cd]indol-2-one

C15H16N2O2 — CID 103482297

IUPAC1-[2-(2-aminoethoxy)ethyl]benzo[cd]indol-2-one
SMILESNCCOCCN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C15H16N2O2/c16-7-9-19-10-8-17-13-6-2-4-11-3-1-5-12(14(11)13)15(17)18/h1-6H,7-10,16H2
InChIKeyOCDCWXOYCOQXFU-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.78
Rot. Bonds5

About 1-[2-(2-aminoethoxy)ethyl]benzo[cd]indol-2-one

1-[2-(2-aminoethoxy)ethyl]benzo[cd]indol-2-one (PubChem CID 103482297) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-[2-(2-aminoethoxy)ethyl]benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-[2-(2-aminoethoxy)ethyl]benzo[cd]indol-2-one
PubChem CID103482297
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-[2-(2-aminoethoxy)ethyl]benzo[cd]indol-2-one
SMILESNCCOCCN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C15H16N2O2/c16-7-9-19-10-8-17-13-6-2-4-11-3-1-5-12(14(11)13)15(17)18/h1-6H,7-10,16H2
InChIKeyOCDCWXOYCOQXFU-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(2-aminoethoxy)ethyl]benzo[cd]indol-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

1-[3-(2-oxobenzo[cd]indol-1-yl)propyl]benzo[cd]indol-2-one
CID 15023408
1-[2-(4-chlorophenoxy)ethyl]benzo[cd]indol-2-one
CID 112788739
1-[2-(4-methoxyphenoxy)ethyl]benzo[cd]indol-2-one
CID 7894088
2-[2-[2-[2-(2-phenothiazin-10-ylethoxy)ethoxy]ethoxy]ethyl]benzo[de]isoquinoline-1,3-dione
CID 102179245
3-(2-oxobenzo[cd]indol-1-yl)propanal
CID 63039828
1-(4-hydroxybutyl)benzo[cd]indol-2-one
CID 43509847
1-(3-methylbutyl)benzo[cd]indol-2-one
CID 18758112
1-(3-pyrrolidin-1-ylpropyl)benzo[cd]indol-2-one
CID 116619002
2-[2-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethoxy]ethoxy]ethylphosphonic acid
CID 178103781
4-(2-oxobenzo[cd]indol-1-yl)butanoic acid
CID 24689476
1-[[2-(aminomethyl)phenyl]methyl]benzo[cd]indol-2-one
CID 24692767
6-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-[2-[2-[2-[6-[2-[2-[2-[[2-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]amino]ethoxy]ethoxy]ethylamino]-1,3-dioxobenzo[de]isoquinolin-2-yl]ethoxy]ethoxy]ethyl]benzo[de]isoquinoline-1,3-dione
CID 86275855

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethoxy)ethyl]benzo[cd]indol-2-one?
The IUPAC name of 1-[2-(2-aminoethoxy)ethyl]benzo[cd]indol-2-one (CID 103482297) is 1-[2-(2-aminoethoxy)ethyl]benzo[cd]indol-2-one.
What is the SMILES notation for 1-[2-(2-aminoethoxy)ethyl]benzo[cd]indol-2-one?
The canonical SMILES for 1-[2-(2-aminoethoxy)ethyl]benzo[cd]indol-2-one is NCCOCCN1C(=O)c2cccc3cccc1c23.
What is the InChIKey of 1-[2-(2-aminoethoxy)ethyl]benzo[cd]indol-2-one?
The InChIKey is OCDCWXOYCOQXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c16-7-9-19-10-8-17-13-6-2-4-11-3-1-5-12(14(11)13)15(17)18/h1-6H,7-10,16H2.
What are the key properties of 1-[2-(2-aminoethoxy)ethyl]benzo[cd]indol-2-one?
1-[2-(2-aminoethoxy)ethyl]benzo[cd]indol-2-one has a molecular weight of 256.31 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethoxy)ethyl]benzo[cd]indol-2-one is sourced from PubChem (CID 103482297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).