7-methyl-5-phenyl-2-propan-2-yl-3H-isoindol-1-one

C18H19NO — CID 141186433

IUPAC7-methyl-5-phenyl-2-propan-2-yl-3H-isoindol-1-one
SMILESCc1cc(-c2ccccc2)cc2c1C(=O)N(C(C)C)C2
InChIInChI=1S/C18H19NO/c1-12(2)19-11-16-10-15(14-7-5-4-6-8-14)9-13(3)17(16)18(19)20/h4-10,12H,11H2,1-3H3
InChIKeyUHWCMYLEIQVQSD-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.03
Rot. Bonds2

About 7-methyl-5-phenyl-2-propan-2-yl-3H-isoindol-1-one

7-methyl-5-phenyl-2-propan-2-yl-3H-isoindol-1-one (PubChem CID 141186433) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 7-methyl-5-phenyl-2-propan-2-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name7-methyl-5-phenyl-2-propan-2-yl-3H-isoindol-1-one
PubChem CID141186433
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name7-methyl-5-phenyl-2-propan-2-yl-3H-isoindol-1-one
SMILESCc1cc(-c2ccccc2)cc2c1C(=O)N(C(C)C)C2
InChIInChI=1S/C18H19NO/c1-12(2)19-11-16-10-15(14-7-5-4-6-8-14)9-13(3)17(16)18(19)20/h4-10,12H,11H2,1-3H3
InChIKeyUHWCMYLEIQVQSD-UHFFFAOYSA-N
XLogP4.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-phenyl-2-propan-2-yl-3H-isoindol-1-one?
The IUPAC name of 7-methyl-5-phenyl-2-propan-2-yl-3H-isoindol-1-one (CID 141186433) is 7-methyl-5-phenyl-2-propan-2-yl-3H-isoindol-1-one.
What is the SMILES notation for 7-methyl-5-phenyl-2-propan-2-yl-3H-isoindol-1-one?
The canonical SMILES for 7-methyl-5-phenyl-2-propan-2-yl-3H-isoindol-1-one is Cc1cc(-c2ccccc2)cc2c1C(=O)N(C(C)C)C2.
What is the InChIKey of 7-methyl-5-phenyl-2-propan-2-yl-3H-isoindol-1-one?
The InChIKey is UHWCMYLEIQVQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-12(2)19-11-16-10-15(14-7-5-4-6-8-14)9-13(3)17(16)18(19)20/h4-10,12H,11H2,1-3H3.
What are the key properties of 7-methyl-5-phenyl-2-propan-2-yl-3H-isoindol-1-one?
7-methyl-5-phenyl-2-propan-2-yl-3H-isoindol-1-one has a molecular weight of 265.36 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-phenyl-2-propan-2-yl-3H-isoindol-1-one is sourced from PubChem (CID 141186433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).