2-cyclopropyl-3-hydroxy-3-phenylisoindol-1-one

C17H15NO2 — CID 2971914

IUPAC2-cyclopropyl-3-hydroxy-3-phenylisoindol-1-one
SMILESO=C1c2ccccc2C(O)(c2ccccc2)N1C1CC1
InChIInChI=1S/C17H15NO2/c19-16-14-8-4-5-9-15(14)17(20,18(16)13-10-11-13)12-6-2-1-3-7-12/h1-9,13,20H,10-11H2
InChIKeyCYLWGGOFDXCAOJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.50
Rot. Bonds2

About 2-cyclopropyl-3-hydroxy-3-phenylisoindol-1-one

2-cyclopropyl-3-hydroxy-3-phenylisoindol-1-one (PubChem CID 2971914) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-cyclopropyl-3-hydroxy-3-phenylisoindol-1-one.

Molecular Properties

Compound Name2-cyclopropyl-3-hydroxy-3-phenylisoindol-1-one
PubChem CID2971914
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name2-cyclopropyl-3-hydroxy-3-phenylisoindol-1-one
SMILESO=C1c2ccccc2C(O)(c2ccccc2)N1C1CC1
InChIInChI=1S/C17H15NO2/c19-16-14-8-4-5-9-15(14)17(20,18(16)13-10-11-13)12-6-2-1-3-7-12/h1-9,13,20H,10-11H2
InChIKeyCYLWGGOFDXCAOJ-UHFFFAOYSA-N
XLogP2.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-hydroxy-3-phenylisoindol-1-one?
The IUPAC name of 2-cyclopropyl-3-hydroxy-3-phenylisoindol-1-one (CID 2971914) is 2-cyclopropyl-3-hydroxy-3-phenylisoindol-1-one.
What is the SMILES notation for 2-cyclopropyl-3-hydroxy-3-phenylisoindol-1-one?
The canonical SMILES for 2-cyclopropyl-3-hydroxy-3-phenylisoindol-1-one is O=C1c2ccccc2C(O)(c2ccccc2)N1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-hydroxy-3-phenylisoindol-1-one?
The InChIKey is CYLWGGOFDXCAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c19-16-14-8-4-5-9-15(14)17(20,18(16)13-10-11-13)12-6-2-1-3-7-12/h1-9,13,20H,10-11H2.
What are the key properties of 2-cyclopropyl-3-hydroxy-3-phenylisoindol-1-one?
2-cyclopropyl-3-hydroxy-3-phenylisoindol-1-one has a molecular weight of 265.31 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-hydroxy-3-phenylisoindol-1-one is sourced from PubChem (CID 2971914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).