2-propan-2-yl-3-pyridin-2-yl-3H-isoindol-1-one

C16H16N2O — CID 155394913

IUPAC2-propan-2-yl-3-pyridin-2-yl-3H-isoindol-1-one
SMILESCC(C)N1C(=O)c2ccccc2C1c1ccccn1
InChIInChI=1S/C16H16N2O/c1-11(2)18-15(14-9-5-6-10-17-14)12-7-3-4-8-13(12)16(18)19/h3-11,15H,1-2H3
InChIKeyFWHUTUMBJYFAFC-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.04
Rot. Bonds2

About 2-propan-2-yl-3-pyridin-2-yl-3H-isoindol-1-one

2-propan-2-yl-3-pyridin-2-yl-3H-isoindol-1-one (PubChem CID 155394913) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-propan-2-yl-3-pyridin-2-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name2-propan-2-yl-3-pyridin-2-yl-3H-isoindol-1-one
PubChem CID155394913
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-propan-2-yl-3-pyridin-2-yl-3H-isoindol-1-one
SMILESCC(C)N1C(=O)c2ccccc2C1c1ccccn1
InChIInChI=1S/C16H16N2O/c1-11(2)18-15(14-9-5-6-10-17-14)12-7-3-4-8-13(12)16(18)19/h3-11,15H,1-2H3
InChIKeyFWHUTUMBJYFAFC-UHFFFAOYSA-N
XLogP3.04
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3-pyridin-2-yl-3H-isoindol-1-one?
The IUPAC name of 2-propan-2-yl-3-pyridin-2-yl-3H-isoindol-1-one (CID 155394913) is 2-propan-2-yl-3-pyridin-2-yl-3H-isoindol-1-one.
What is the SMILES notation for 2-propan-2-yl-3-pyridin-2-yl-3H-isoindol-1-one?
The canonical SMILES for 2-propan-2-yl-3-pyridin-2-yl-3H-isoindol-1-one is CC(C)N1C(=O)c2ccccc2C1c1ccccn1.
What is the InChIKey of 2-propan-2-yl-3-pyridin-2-yl-3H-isoindol-1-one?
The InChIKey is FWHUTUMBJYFAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11(2)18-15(14-9-5-6-10-17-14)12-7-3-4-8-13(12)16(18)19/h3-11,15H,1-2H3.
What are the key properties of 2-propan-2-yl-3-pyridin-2-yl-3H-isoindol-1-one?
2-propan-2-yl-3-pyridin-2-yl-3H-isoindol-1-one has a molecular weight of 252.32 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3-pyridin-2-yl-3H-isoindol-1-one is sourced from PubChem (CID 155394913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).