1-(4-hydroxybutyl)benzo[cd]indol-2-one

C15H15NO2 — CID 43509847

IUPAC1-(4-hydroxybutyl)benzo[cd]indol-2-one
SMILESO=C1c2cccc3cccc(c23)N1CCCCO
InChIInChI=1S/C15H15NO2/c17-10-2-1-9-16-13-8-4-6-11-5-3-7-12(14(11)13)15(16)18/h3-8,17H,1-2,9-10H2
InChIKeyUTILAMRQKVVFTR-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.57
Rot. Bonds4

About 1-(4-hydroxybutyl)benzo[cd]indol-2-one

1-(4-hydroxybutyl)benzo[cd]indol-2-one (PubChem CID 43509847) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(4-hydroxybutyl)benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-(4-hydroxybutyl)benzo[cd]indol-2-one
PubChem CID43509847
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name1-(4-hydroxybutyl)benzo[cd]indol-2-one
SMILESO=C1c2cccc3cccc(c23)N1CCCCO
InChIInChI=1S/C15H15NO2/c17-10-2-1-9-16-13-8-4-6-11-5-3-7-12(14(11)13)15(16)18/h3-8,17H,1-2,9-10H2
InChIKeyUTILAMRQKVVFTR-UHFFFAOYSA-N
XLogP2.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-oxobenzo[cd]indol-1-yl)propyl]benzo[cd]indol-2-one
CID 15023408
4-(2-oxobenzo[cd]indol-1-yl)butanoic acid
CID 24689476
5-(2-oxobenzo[cd]indol-1-yl)pentanehydrazide
CID 63578287
16-(4-hydroxybutyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2,4,6(23),7,9,11,13,18(22),19-decaene-15,17-dione
CID 121309578
1-(3-pyrrolidin-1-ylpropyl)benzo[cd]indol-2-one
CID 116619002
6,12-bis(5-hydroxypentyl)-6,12-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7,13-trione
CID 101109209
3-(2-oxobenzo[cd]indol-1-yl)propanal
CID 63039828
N-(2-hydroxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 43509846
1-(3-methylbutyl)benzo[cd]indol-2-one
CID 18758112
2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione
CID 21468228
2-(4-aminobutyl)benzo[de]isoquinoline-1,3-dione
CID 11623143
2-[3-[2-[bis(2-hydroxyethyl)amino]ethyl-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]amino]propyl]benzo[de]isoquinoline-1,3-dione
CID 44553380

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxybutyl)benzo[cd]indol-2-one?
The IUPAC name of 1-(4-hydroxybutyl)benzo[cd]indol-2-one (CID 43509847) is 1-(4-hydroxybutyl)benzo[cd]indol-2-one.
What is the SMILES notation for 1-(4-hydroxybutyl)benzo[cd]indol-2-one?
The canonical SMILES for 1-(4-hydroxybutyl)benzo[cd]indol-2-one is O=C1c2cccc3cccc(c23)N1CCCCO.
What is the InChIKey of 1-(4-hydroxybutyl)benzo[cd]indol-2-one?
The InChIKey is UTILAMRQKVVFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c17-10-2-1-9-16-13-8-4-6-11-5-3-7-12(14(11)13)15(16)18/h3-8,17H,1-2,9-10H2.
What are the key properties of 1-(4-hydroxybutyl)benzo[cd]indol-2-one?
1-(4-hydroxybutyl)benzo[cd]indol-2-one has a molecular weight of 241.29 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxybutyl)benzo[cd]indol-2-one is sourced from PubChem (CID 43509847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).