1-(1,3-dihydroisoindol-2-yl)ethanone

C10H11NO — CID 15444356

IUPAC1-(1,3-dihydroisoindol-2-yl)ethanone
SMILESCC(=O)N1Cc2ccccc2C1
InChIInChI=1S/C10H11NO/c1-8(12)11-6-9-4-2-3-5-10(9)7-11/h2-5H,6-7H2,1H3
InChIKeyFPULJIHNWKBSCZ-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.55
Rot. Bonds

About 1-(1,3-dihydroisoindol-2-yl)ethanone

1-(1,3-dihydroisoindol-2-yl)ethanone (PubChem CID 15444356) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-(1,3-dihydroisoindol-2-yl)ethanone.

Molecular Properties

Compound Name1-(1,3-dihydroisoindol-2-yl)ethanone
PubChem CID15444356
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name1-(1,3-dihydroisoindol-2-yl)ethanone
SMILESCC(=O)N1Cc2ccccc2C1
InChIInChI=1S/C10H11NO/c1-8(12)11-6-9-4-2-3-5-10(9)7-11/h2-5H,6-7H2,1H3
InChIKeyFPULJIHNWKBSCZ-UHFFFAOYSA-N
XLogP1.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroisoindol-2-yl)ethanone?
The IUPAC name of 1-(1,3-dihydroisoindol-2-yl)ethanone (CID 15444356) is 1-(1,3-dihydroisoindol-2-yl)ethanone.
What is the SMILES notation for 1-(1,3-dihydroisoindol-2-yl)ethanone?
The canonical SMILES for 1-(1,3-dihydroisoindol-2-yl)ethanone is CC(=O)N1Cc2ccccc2C1.
What is the InChIKey of 1-(1,3-dihydroisoindol-2-yl)ethanone?
The InChIKey is FPULJIHNWKBSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-8(12)11-6-9-4-2-3-5-10(9)7-11/h2-5H,6-7H2,1H3.
What are the key properties of 1-(1,3-dihydroisoindol-2-yl)ethanone?
1-(1,3-dihydroisoindol-2-yl)ethanone has a molecular weight of 161.20 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroisoindol-2-yl)ethanone is sourced from PubChem (CID 15444356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).