2-(1,3-dioxoinden-2-yl)acetaldehyde

C11H8O3 — CID 170000010

IUPAC2-(1,3-dioxoinden-2-yl)acetaldehyde
SMILESO=CCC1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H8O3/c12-6-5-9-10(13)7-3-1-2-4-8(7)11(9)14/h1-4,6,9H,5H2
InChIKeyHVHZURQJVJEUDP-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.27
Rot. Bonds2

About 2-(1,3-dioxoinden-2-yl)acetaldehyde

2-(1,3-dioxoinden-2-yl)acetaldehyde (PubChem CID 170000010) has the molecular formula C11H8O3 and a molecular weight of 188.18 g/mol. Its IUPAC name is 2-(1,3-dioxoinden-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1,3-dioxoinden-2-yl)acetaldehyde
PubChem CID170000010
Molecular FormulaC11H8O3
Molecular Weight188.18 g/mol
Exact Mass188.05
IUPAC Name2-(1,3-dioxoinden-2-yl)acetaldehyde
SMILESO=CCC1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H8O3/c12-6-5-9-10(13)7-3-1-2-4-8(7)11(9)14/h1-4,6,9H,5H2
InChIKeyHVHZURQJVJEUDP-UHFFFAOYSA-N
XLogP1.27
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-dioxoinden-2-yl)acetamide
CID 69094521
2-(3-oxo-1-phenyl-1,2-dihydroinden-2-yl)acetaldehyde
CID 57065889
(3R)-3-(1,3-dioxoinden-2-yl)-4-fluorobutanal
CID 59781122
2-(2-oxo-1,3-dihydroindol-3-yl)acetaldehyde
CID 22380583
ethyl 2-(1,3-dioxoinden-2-yl)acetate
CID 13130488
2-[2-(1,3-dioxoinden-2-yl)ethyl]isoindole-1,3-dione
CID 59938130
2-(5-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetaldehyde
CID 54021692
2-hydroxyindene-1,3-dione
CID 10219583
3-(3-chloropropyl)naphthalene-1,2,4-trione
CID 91897968
2-[2-(2-iodophenyl)ethyl]indene-1,3-dione
CID 10959748
(1S,3R,12S,14S)-2,13-dithiapentacyclo[12.8.0.03,12.05,10.016,21]docosa-5,7,9,16,18,20-hexaene-4,11,15,22-tetrone
CID 98085181
(8,10-dioxo-9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)thallium
CID 134863179

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoinden-2-yl)acetaldehyde?
The IUPAC name of 2-(1,3-dioxoinden-2-yl)acetaldehyde (CID 170000010) is 2-(1,3-dioxoinden-2-yl)acetaldehyde.
What is the SMILES notation for 2-(1,3-dioxoinden-2-yl)acetaldehyde?
The canonical SMILES for 2-(1,3-dioxoinden-2-yl)acetaldehyde is O=CCC1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoinden-2-yl)acetaldehyde?
The InChIKey is HVHZURQJVJEUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O3/c12-6-5-9-10(13)7-3-1-2-4-8(7)11(9)14/h1-4,6,9H,5H2.
What are the key properties of 2-(1,3-dioxoinden-2-yl)acetaldehyde?
2-(1,3-dioxoinden-2-yl)acetaldehyde has a molecular weight of 188.18 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoinden-2-yl)acetaldehyde is sourced from PubChem (CID 170000010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).