3-(2-oxobenzo[cd]indol-1-yl)propanal

C14H11NO2 — CID 63039828

IUPAC3-(2-oxobenzo[cd]indol-1-yl)propanal
SMILESO=CCCN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C14H11NO2/c16-9-3-8-15-12-7-2-5-10-4-1-6-11(13(10)12)14(15)17/h1-2,4-7,9H,3,8H2
InChIKeyCXYLNGZAXGAROE-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.39
Rot. Bonds3

About 3-(2-oxobenzo[cd]indol-1-yl)propanal

3-(2-oxobenzo[cd]indol-1-yl)propanal (PubChem CID 63039828) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-(2-oxobenzo[cd]indol-1-yl)propanal.

Molecular Properties

Compound Name3-(2-oxobenzo[cd]indol-1-yl)propanal
PubChem CID63039828
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name3-(2-oxobenzo[cd]indol-1-yl)propanal
SMILESO=CCCN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C14H11NO2/c16-9-3-8-15-12-7-2-5-10-4-1-6-11(13(10)12)14(15)17/h1-2,4-7,9H,3,8H2
InChIKeyCXYLNGZAXGAROE-UHFFFAOYSA-N
XLogP2.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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
1-(4-hydroxybutyl)benzo[cd]indol-2-one
CID 43509847
1-(3-methylbutyl)benzo[cd]indol-2-one
CID 18758112
4-(2-oxobenzo[cd]indol-1-yl)butanoic acid
CID 24689476
1-(3-pyrrolidin-1-ylpropyl)benzo[cd]indol-2-one
CID 116619002
1-[2-(2-aminoethoxy)ethyl]benzo[cd]indol-2-one
CID 103482297
5-(2-oxobenzo[cd]indol-1-yl)pentanehydrazide
CID 63578287
1-[2-(4-methoxyphenoxy)ethyl]benzo[cd]indol-2-one
CID 7894088
1-[(2R)-2-aminopropyl]benzo[cd]indol-2-one
CID 28793599
1-(2-aminopropyl)benzo[cd]indol-2-one
CID 43211493
1-[2-(4-chlorophenoxy)ethyl]benzo[cd]indol-2-one
CID 112788739
3-methyl-4-(2-oxobenzo[cd]indol-1-yl)but-2-enoic acid
CID 77005758

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxobenzo[cd]indol-1-yl)propanal?
The IUPAC name of 3-(2-oxobenzo[cd]indol-1-yl)propanal (CID 63039828) is 3-(2-oxobenzo[cd]indol-1-yl)propanal.
What is the SMILES notation for 3-(2-oxobenzo[cd]indol-1-yl)propanal?
The canonical SMILES for 3-(2-oxobenzo[cd]indol-1-yl)propanal is O=CCCN1C(=O)c2cccc3cccc1c23.
What is the InChIKey of 3-(2-oxobenzo[cd]indol-1-yl)propanal?
The InChIKey is CXYLNGZAXGAROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c16-9-3-8-15-12-7-2-5-10-4-1-6-11(13(10)12)14(15)17/h1-2,4-7,9H,3,8H2.
What are the key properties of 3-(2-oxobenzo[cd]indol-1-yl)propanal?
3-(2-oxobenzo[cd]indol-1-yl)propanal has a molecular weight of 225.25 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxobenzo[cd]indol-1-yl)propanal is sourced from PubChem (CID 63039828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).