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

C10H11NO — CID 89299506

IUPAC2-(2,3-dihydro-1H-isoindol-1-yl)acetaldehyde
SMILESO=CCC1NCc2ccccc21
InChIInChI=1S/C10H11NO/c12-6-5-10-9-4-2-1-3-8(9)7-11-10/h1-4,6,10-11H,5,7H2
InChIKeyBMYRAWAARQOIPQ-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.42
Rot. Bonds2

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

2-(2,3-dihydro-1H-isoindol-1-yl)acetaldehyde (PubChem CID 89299506) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-isoindol-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-isoindol-1-yl)acetaldehyde
PubChem CID89299506
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name2-(2,3-dihydro-1H-isoindol-1-yl)acetaldehyde
SMILESO=CCC1NCc2ccccc21
InChIInChI=1S/C10H11NO/c12-6-5-10-9-4-2-1-3-8(9)7-11-10/h1-4,6,10-11H,5,7H2
InChIKeyBMYRAWAARQOIPQ-UHFFFAOYSA-N
XLogP1.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-isoindol-1-yl)acetaldehyde?
The IUPAC name of 2-(2,3-dihydro-1H-isoindol-1-yl)acetaldehyde (CID 89299506) is 2-(2,3-dihydro-1H-isoindol-1-yl)acetaldehyde.
What is the SMILES notation for 2-(2,3-dihydro-1H-isoindol-1-yl)acetaldehyde?
The canonical SMILES for 2-(2,3-dihydro-1H-isoindol-1-yl)acetaldehyde is O=CCC1NCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1H-isoindol-1-yl)acetaldehyde?
The InChIKey is BMYRAWAARQOIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c12-6-5-10-9-4-2-1-3-8(9)7-11-10/h1-4,6,10-11H,5,7H2.
What are the key properties of 2-(2,3-dihydro-1H-isoindol-1-yl)acetaldehyde?
2-(2,3-dihydro-1H-isoindol-1-yl)acetaldehyde has a molecular weight of 161.20 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-isoindol-1-yl)acetaldehyde is sourced from PubChem (CID 89299506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).