5-(1-acetyl-2,3-dihydroindol-7-yl)furan-2-carbaldehyde

C15H13NO3 — CID 169332959

IUPAC5-(1-acetyl-2,3-dihydroindol-7-yl)furan-2-carbaldehyde
SMILESCC(=O)N1CCc2cccc(-c3ccc(C=O)o3)c21
InChIInChI=1S/C15H13NO3/c1-10(18)16-8-7-11-3-2-4-13(15(11)16)14-6-5-12(9-17)19-14/h2-6,9H,7-8H2,1H3
InChIKeyXXGVHELZKQFOLP-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.67
Rot. Bonds2

About 5-(1-acetyl-2,3-dihydroindol-7-yl)furan-2-carbaldehyde

5-(1-acetyl-2,3-dihydroindol-7-yl)furan-2-carbaldehyde (PubChem CID 169332959) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 5-(1-acetyl-2,3-dihydroindol-7-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(1-acetyl-2,3-dihydroindol-7-yl)furan-2-carbaldehyde
PubChem CID169332959
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name5-(1-acetyl-2,3-dihydroindol-7-yl)furan-2-carbaldehyde
SMILESCC(=O)N1CCc2cccc(-c3ccc(C=O)o3)c21
InChIInChI=1S/C15H13NO3/c1-10(18)16-8-7-11-3-2-4-13(15(11)16)14-6-5-12(9-17)19-14/h2-6,9H,7-8H2,1H3
InChIKeyXXGVHELZKQFOLP-UHFFFAOYSA-N
XLogP2.67
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(1-methyl-2-oxo-3,4-dihydroquinazolin-8-yl)furan-2-carbaldehyde
CID 169335455
1-(7-ethyl-2,3-dihydroindol-1-yl)ethanone
CID 101108036
5-(1,2,3,4-tetrahydroisoquinolin-8-yl)furan-2-carbaldehyde
CID 169333519
5-[2-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde
CID 169334647
5-(3-chloro-2-morpholin-4-ylphenyl)furan-2-carbaldehyde
CID 169334108
5-[2-(thiomorpholine-4-carbonyl)phenyl]furan-2-carbaldehyde
CID 169333844
1-[7-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 119042698
1-[7-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone
CID 102233606
5-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)furan-2-carbaldehyde
CID 169335246
1-[7-[(E)-2-(4-bromophenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone
CID 102233608
8-(5-formylfuran-2-yl)quinoline-2-carboxylic acid
CID 169335149
N-(1-acetyl-2,3-dihydroindol-7-yl)-2-methylpropanamide
CID 112537152

Frequently Asked Questions

What is the IUPAC name of 5-(1-acetyl-2,3-dihydroindol-7-yl)furan-2-carbaldehyde?
The IUPAC name of 5-(1-acetyl-2,3-dihydroindol-7-yl)furan-2-carbaldehyde (CID 169332959) is 5-(1-acetyl-2,3-dihydroindol-7-yl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(1-acetyl-2,3-dihydroindol-7-yl)furan-2-carbaldehyde?
The canonical SMILES for 5-(1-acetyl-2,3-dihydroindol-7-yl)furan-2-carbaldehyde is CC(=O)N1CCc2cccc(-c3ccc(C=O)o3)c21.
What is the InChIKey of 5-(1-acetyl-2,3-dihydroindol-7-yl)furan-2-carbaldehyde?
The InChIKey is XXGVHELZKQFOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-10(18)16-8-7-11-3-2-4-13(15(11)16)14-6-5-12(9-17)19-14/h2-6,9H,7-8H2,1H3.
What are the key properties of 5-(1-acetyl-2,3-dihydroindol-7-yl)furan-2-carbaldehyde?
5-(1-acetyl-2,3-dihydroindol-7-yl)furan-2-carbaldehyde has a molecular weight of 255.27 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-acetyl-2,3-dihydroindol-7-yl)furan-2-carbaldehyde is sourced from PubChem (CID 169332959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).