2-(2'-oxospiro[2H-1-benzofuran-3,3'-indole]-1'-yl)acetaldehyde

C17H13NO3 — CID 59352677

IUPAC2-(2'-oxospiro[2H-1-benzofuran-3,3'-indole]-1'-yl)acetaldehyde
SMILESO=CCN1C(=O)C2(COc3ccccc32)c2ccccc21
InChIInChI=1S/C17H13NO3/c19-10-9-18-14-7-3-1-5-12(14)17(16(18)20)11-21-15-8-4-2-6-13(15)17/h1-8,10H,9,11H2
InChIKeyWXJCWBQXGKUYCO-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.91
Rot. Bonds2

About 2-(2'-oxospiro[2H-1-benzofuran-3,3'-indole]-1'-yl)acetaldehyde

2-(2'-oxospiro[2H-1-benzofuran-3,3'-indole]-1'-yl)acetaldehyde (PubChem CID 59352677) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(2'-oxospiro[2H-1-benzofuran-3,3'-indole]-1'-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2'-oxospiro[2H-1-benzofuran-3,3'-indole]-1'-yl)acetaldehyde
PubChem CID59352677
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name2-(2'-oxospiro[2H-1-benzofuran-3,3'-indole]-1'-yl)acetaldehyde
SMILESO=CCN1C(=O)C2(COc3ccccc32)c2ccccc21
InChIInChI=1S/C17H13NO3/c19-10-9-18-14-7-3-1-5-12(14)17(16(18)20)11-21-15-8-4-2-6-13(15)17/h1-8,10H,9,11H2
InChIKeyWXJCWBQXGKUYCO-UHFFFAOYSA-N
XLogP1.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.91
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

1'-ethylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 59352101
ethane;2-(2'-oxospiro[2H-1-benzofuran-3,3'-indole]-1'-yl)acetamide
CID 91113408
1'-(thiophen-2-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263336
(8S)-1'-(pyrimidin-2-ylmethyl)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 59352095
1'-(naphthalen-1-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66642072
2-(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetic acid
CID 59263485
6-anilino-1'-pentylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 59263516
2-[2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetaldehyde
CID 76754457
4-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)butanenitrile
CID 66642446
1'-(4,4,4-trifluorobutyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66641983
1'-pentyl-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 59263356
6-hydroxy-1'-[(2-methyloxolan-2-yl)methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 91267792

Frequently Asked Questions

What is the IUPAC name of 2-(2'-oxospiro[2H-1-benzofuran-3,3'-indole]-1'-yl)acetaldehyde?
The IUPAC name of 2-(2'-oxospiro[2H-1-benzofuran-3,3'-indole]-1'-yl)acetaldehyde (CID 59352677) is 2-(2'-oxospiro[2H-1-benzofuran-3,3'-indole]-1'-yl)acetaldehyde.
What is the SMILES notation for 2-(2'-oxospiro[2H-1-benzofuran-3,3'-indole]-1'-yl)acetaldehyde?
The canonical SMILES for 2-(2'-oxospiro[2H-1-benzofuran-3,3'-indole]-1'-yl)acetaldehyde is O=CCN1C(=O)C2(COc3ccccc32)c2ccccc21.
What is the InChIKey of 2-(2'-oxospiro[2H-1-benzofuran-3,3'-indole]-1'-yl)acetaldehyde?
The InChIKey is WXJCWBQXGKUYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c19-10-9-18-14-7-3-1-5-12(14)17(16(18)20)11-21-15-8-4-2-6-13(15)17/h1-8,10H,9,11H2.
What are the key properties of 2-(2'-oxospiro[2H-1-benzofuran-3,3'-indole]-1'-yl)acetaldehyde?
2-(2'-oxospiro[2H-1-benzofuran-3,3'-indole]-1'-yl)acetaldehyde has a molecular weight of 279.30 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2'-oxospiro[2H-1-benzofuran-3,3'-indole]-1'-yl)acetaldehyde is sourced from PubChem (CID 59352677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).