5,10-dioxo-2,3-dihydronaphtho[2,3-f]indole-1-carbaldehyde

C17H11NO3 — CID 14376738

IUPAC5,10-dioxo-2,3-dihydronaphtho[2,3-f]indole-1-carbaldehyde
SMILESO=CN1CCc2cc3c(cc21)C(=O)c1ccccc1C3=O
InChIInChI=1S/C17H11NO3/c19-9-18-6-5-10-7-13-14(8-15(10)18)17(21)12-4-2-1-3-11(12)16(13)20/h1-4,7-9H,5-6H2
InChIKeyUNCKSDQFPRETLE-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.98
Rot. Bonds1

About 5,10-dioxo-2,3-dihydronaphtho[2,3-f]indole-1-carbaldehyde

5,10-dioxo-2,3-dihydronaphtho[2,3-f]indole-1-carbaldehyde (PubChem CID 14376738) has the molecular formula C17H11NO3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 5,10-dioxo-2,3-dihydronaphtho[2,3-f]indole-1-carbaldehyde.

Molecular Properties

Compound Name5,10-dioxo-2,3-dihydronaphtho[2,3-f]indole-1-carbaldehyde
PubChem CID14376738
Molecular FormulaC17H11NO3
Molecular Weight277.28 g/mol
Exact Mass277.07
IUPAC Name5,10-dioxo-2,3-dihydronaphtho[2,3-f]indole-1-carbaldehyde
SMILESO=CN1CCc2cc3c(cc21)C(=O)c1ccccc1C3=O
InChIInChI=1S/C17H11NO3/c19-9-18-6-5-10-7-13-14(8-15(10)18)17(21)12-4-2-1-3-11(12)16(13)20/h1-4,7-9H,5-6H2
InChIKeyUNCKSDQFPRETLE-UHFFFAOYSA-N
XLogP1.98
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-1-carbaldehyde
CID 135142567
5-hydroxy-2,3-dihydroindole-1-carbaldehyde
CID 119090717
1-formyl-2,3-dihydroindole-5-sulfonamide
CID 89385398
2,3-dihydro-1H-cyclopenta[b]fluoren-9-one
CID 132566207
CID 67824005
CID 67824005
5-(aminomethyl)-2,3-dihydroindole-1-carbaldehyde
CID 82503449
6-(dimethylamino)-2,3-dihydroindole-1-carbaldehyde
CID 89385300
5-[(E)-2-(2-methylphenyl)ethenyl]-2,3-dihydroindole-1-carbaldehyde
CID 155660781
5-chloro-6-pyrrolidin-1-ylsulfanyl-2,3-dihydroindole-1-carbaldehyde
CID 146176969
5-bromo-6-(tert-butylamino)sulfanyl-2,3-dihydroindole-1-carbaldehyde
CID 145018691
3,4-dihydro-2H-quinoline-1-carbaldehyde;1-formyl-3,4-dihydro-2H-quinoline-6-sulfonyl chloride
CID 158071157
(2E,5E)-2,5-bis(2,3-dihydroindol-1-ylmethylidene)cyclopentan-1-one
CID 59550191

Frequently Asked Questions

What is the IUPAC name of 5,10-dioxo-2,3-dihydronaphtho[2,3-f]indole-1-carbaldehyde?
The IUPAC name of 5,10-dioxo-2,3-dihydronaphtho[2,3-f]indole-1-carbaldehyde (CID 14376738) is 5,10-dioxo-2,3-dihydronaphtho[2,3-f]indole-1-carbaldehyde.
What is the SMILES notation for 5,10-dioxo-2,3-dihydronaphtho[2,3-f]indole-1-carbaldehyde?
The canonical SMILES for 5,10-dioxo-2,3-dihydronaphtho[2,3-f]indole-1-carbaldehyde is O=CN1CCc2cc3c(cc21)C(=O)c1ccccc1C3=O.
What is the InChIKey of 5,10-dioxo-2,3-dihydronaphtho[2,3-f]indole-1-carbaldehyde?
The InChIKey is UNCKSDQFPRETLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO3/c19-9-18-6-5-10-7-13-14(8-15(10)18)17(21)12-4-2-1-3-11(12)16(13)20/h1-4,7-9H,5-6H2.
What are the key properties of 5,10-dioxo-2,3-dihydronaphtho[2,3-f]indole-1-carbaldehyde?
5,10-dioxo-2,3-dihydronaphtho[2,3-f]indole-1-carbaldehyde has a molecular weight of 277.28 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dioxo-2,3-dihydronaphtho[2,3-f]indole-1-carbaldehyde is sourced from PubChem (CID 14376738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).