2-(2,3-dihydro-1H-inden-2-yl)acetaldehyde

C11H12O — CID 11378656

IUPAC2-(2,3-dihydro-1H-inden-2-yl)acetaldehyde
SMILESO=CCC1Cc2ccccc2C1
InChIInChI=1S/C11H12O/c12-6-5-9-7-10-3-1-2-4-11(10)8-9/h1-4,6,9H,5,7-8H2
InChIKeyXMQCVICRPBHGLO-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.99
Rot. Bonds2

About 2-(2,3-dihydro-1H-inden-2-yl)acetaldehyde

2-(2,3-dihydro-1H-inden-2-yl)acetaldehyde (PubChem CID 11378656) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-yl)acetaldehyde
PubChem CID11378656
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name2-(2,3-dihydro-1H-inden-2-yl)acetaldehyde
SMILESO=CCC1Cc2ccccc2C1
InChIInChI=1S/C11H12O/c12-6-5-9-7-10-3-1-2-4-11(10)8-9/h1-4,6,9H,5,7-8H2
InChIKeyXMQCVICRPBHGLO-UHFFFAOYSA-N
XLogP1.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)acetaldehyde?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)acetaldehyde (CID 11378656) is 2-(2,3-dihydro-1H-inden-2-yl)acetaldehyde.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-yl)acetaldehyde?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-yl)acetaldehyde is O=CCC1Cc2ccccc2C1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-yl)acetaldehyde?
The InChIKey is XMQCVICRPBHGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c12-6-5-9-7-10-3-1-2-4-11(10)8-9/h1-4,6,9H,5,7-8H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-2-yl)acetaldehyde?
2-(2,3-dihydro-1H-inden-2-yl)acetaldehyde has a molecular weight of 160.22 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-yl)acetaldehyde is sourced from PubChem (CID 11378656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).