6-(propan-2-ylamino)-2,3-dihydroisoindol-1-one

C11H14N2O — CID 130611791

IUPAC6-(propan-2-ylamino)-2,3-dihydroisoindol-1-one
SMILESCC(C)Nc1ccc2c(c1)C(=O)NC2
InChIInChI=1S/C11H14N2O/c1-7(2)13-9-4-3-8-6-12-11(14)10(8)5-9/h3-5,7,13H,6H2,1-2H3,(H,12,14)
InChIKeyQJKLTORXBLBIAK-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.75
Rot. Bonds2

About 6-(propan-2-ylamino)-2,3-dihydroisoindol-1-one

6-(propan-2-ylamino)-2,3-dihydroisoindol-1-one (PubChem CID 130611791) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 6-(propan-2-ylamino)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-(propan-2-ylamino)-2,3-dihydroisoindol-1-one
PubChem CID130611791
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name6-(propan-2-ylamino)-2,3-dihydroisoindol-1-one
SMILESCC(C)Nc1ccc2c(c1)C(=O)NC2
InChIInChI=1S/C11H14N2O/c1-7(2)13-9-4-3-8-6-12-11(14)10(8)5-9/h3-5,7,13H,6H2,1-2H3,(H,12,14)
InChIKeyQJKLTORXBLBIAK-UHFFFAOYSA-N
XLogP1.75
TPSA41.13 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 ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(propan-2-ylamino)-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-(propan-2-ylamino)-2,3-dihydroisoindol-1-one (CID 130611791) is 6-(propan-2-ylamino)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-(propan-2-ylamino)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-(propan-2-ylamino)-2,3-dihydroisoindol-1-one is CC(C)Nc1ccc2c(c1)C(=O)NC2.
What is the InChIKey of 6-(propan-2-ylamino)-2,3-dihydroisoindol-1-one?
The InChIKey is QJKLTORXBLBIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7(2)13-9-4-3-8-6-12-11(14)10(8)5-9/h3-5,7,13H,6H2,1-2H3,(H,12,14).
What are the key properties of 6-(propan-2-ylamino)-2,3-dihydroisoindol-1-one?
6-(propan-2-ylamino)-2,3-dihydroisoindol-1-one has a molecular weight of 190.25 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propan-2-ylamino)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 130611791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).