2-propan-2-yl-6-pyrrolidin-2-yl-3H-isoindol-1-one

C15H20N2O — CID 117363194

IUPAC2-propan-2-yl-6-pyrrolidin-2-yl-3H-isoindol-1-one
SMILESCC(C)N1Cc2ccc(C3CCCN3)cc2C1=O
InChIInChI=1S/C15H20N2O/c1-10(2)17-9-12-6-5-11(8-13(12)15(17)18)14-4-3-7-16-14/h5-6,8,10,14,16H,3-4,7,9H2,1-2H3
InChIKeyNUGNFHSIHDGIPQ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.48
Rot. Bonds2

About 2-propan-2-yl-6-pyrrolidin-2-yl-3H-isoindol-1-one

2-propan-2-yl-6-pyrrolidin-2-yl-3H-isoindol-1-one (PubChem CID 117363194) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-propan-2-yl-6-pyrrolidin-2-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name2-propan-2-yl-6-pyrrolidin-2-yl-3H-isoindol-1-one
PubChem CID117363194
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-propan-2-yl-6-pyrrolidin-2-yl-3H-isoindol-1-one
SMILESCC(C)N1Cc2ccc(C3CCCN3)cc2C1=O
InChIInChI=1S/C15H20N2O/c1-10(2)17-9-12-6-5-11(8-13(12)15(17)18)14-4-3-7-16-14/h5-6,8,10,14,16H,3-4,7,9H2,1-2H3
InChIKeyNUGNFHSIHDGIPQ-UHFFFAOYSA-N
XLogP2.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-pyrrolidin-2-yl-3H-isoindol-1-one?
The IUPAC name of 2-propan-2-yl-6-pyrrolidin-2-yl-3H-isoindol-1-one (CID 117363194) is 2-propan-2-yl-6-pyrrolidin-2-yl-3H-isoindol-1-one.
What is the SMILES notation for 2-propan-2-yl-6-pyrrolidin-2-yl-3H-isoindol-1-one?
The canonical SMILES for 2-propan-2-yl-6-pyrrolidin-2-yl-3H-isoindol-1-one is CC(C)N1Cc2ccc(C3CCCN3)cc2C1=O.
What is the InChIKey of 2-propan-2-yl-6-pyrrolidin-2-yl-3H-isoindol-1-one?
The InChIKey is NUGNFHSIHDGIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10(2)17-9-12-6-5-11(8-13(12)15(17)18)14-4-3-7-16-14/h5-6,8,10,14,16H,3-4,7,9H2,1-2H3.
What are the key properties of 2-propan-2-yl-6-pyrrolidin-2-yl-3H-isoindol-1-one?
2-propan-2-yl-6-pyrrolidin-2-yl-3H-isoindol-1-one has a molecular weight of 244.34 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-pyrrolidin-2-yl-3H-isoindol-1-one is sourced from PubChem (CID 117363194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).