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

C10H11NO — CID 23316987

IUPAC1-(2,3-dihydro-1H-isoindol-1-yl)ethanone
SMILESCC(=O)C1NCc2ccccc21
InChIInChI=1S/C10H11NO/c1-7(12)10-9-5-3-2-4-8(9)6-11-10/h2-5,10-11H,6H2,1H3
InChIKeyWWZNSIWXZYAOLD-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.42
Rot. Bonds1

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

1-(2,3-dihydro-1H-isoindol-1-yl)ethanone (PubChem CID 23316987) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-isoindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-isoindol-1-yl)ethanone
PubChem CID23316987
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name1-(2,3-dihydro-1H-isoindol-1-yl)ethanone
SMILESCC(=O)C1NCc2ccccc21
InChIInChI=1S/C10H11NO/c1-7(12)10-9-5-3-2-4-8(9)6-11-10/h2-5,10-11H,6H2,1H3
InChIKeyWWZNSIWXZYAOLD-UHFFFAOYSA-N
XLogP1.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-isoindol-1-yl)ethanone?
The IUPAC name of 1-(2,3-dihydro-1H-isoindol-1-yl)ethanone (CID 23316987) is 1-(2,3-dihydro-1H-isoindol-1-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-isoindol-1-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-isoindol-1-yl)ethanone is CC(=O)C1NCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-isoindol-1-yl)ethanone?
The InChIKey is WWZNSIWXZYAOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-7(12)10-9-5-3-2-4-8(9)6-11-10/h2-5,10-11H,6H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-isoindol-1-yl)ethanone?
1-(2,3-dihydro-1H-isoindol-1-yl)ethanone has a molecular weight of 161.20 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-isoindol-1-yl)ethanone is sourced from PubChem (CID 23316987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).