6-(1-aminopropan-2-yl)-2,3-dihydroisoindol-1-one

C11H14N2O — CID 83877479

IUPAC6-(1-aminopropan-2-yl)-2,3-dihydroisoindol-1-one
SMILESCC(CN)c1ccc2c(c1)C(=O)NC2
InChIInChI=1S/C11H14N2O/c1-7(5-12)8-2-3-9-6-13-11(14)10(9)4-8/h2-4,7H,5-6,12H2,1H3,(H,13,14)
InChIKeyACZLIXFUBOLKHU-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.99
Rot. Bonds2

About 6-(1-aminopropan-2-yl)-2,3-dihydroisoindol-1-one

6-(1-aminopropan-2-yl)-2,3-dihydroisoindol-1-one (PubChem CID 83877479) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 6-(1-aminopropan-2-yl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-(1-aminopropan-2-yl)-2,3-dihydroisoindol-1-one
PubChem CID83877479
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name6-(1-aminopropan-2-yl)-2,3-dihydroisoindol-1-one
SMILESCC(CN)c1ccc2c(c1)C(=O)NC2
InChIInChI=1S/C11H14N2O/c1-7(5-12)8-2-3-9-6-13-11(14)10(9)4-8/h2-4,7H,5-6,12H2,1H3,(H,13,14)
InChIKeyACZLIXFUBOLKHU-UHFFFAOYSA-N
XLogP0.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1-aminopropan-2-yl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-(1-aminopropan-2-yl)-2,3-dihydroisoindol-1-one (CID 83877479) is 6-(1-aminopropan-2-yl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-(1-aminopropan-2-yl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-(1-aminopropan-2-yl)-2,3-dihydroisoindol-1-one is CC(CN)c1ccc2c(c1)C(=O)NC2.
What is the InChIKey of 6-(1-aminopropan-2-yl)-2,3-dihydroisoindol-1-one?
The InChIKey is ACZLIXFUBOLKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7(5-12)8-2-3-9-6-13-11(14)10(9)4-8/h2-4,7H,5-6,12H2,1H3,(H,13,14).
What are the key properties of 6-(1-aminopropan-2-yl)-2,3-dihydroisoindol-1-one?
6-(1-aminopropan-2-yl)-2,3-dihydroisoindol-1-one has a molecular weight of 190.25 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminopropan-2-yl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 83877479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).