1,9b-dimethyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one

C12H14N2O — CID 21398427

IUPAC1,9b-dimethyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESCN1CCN2C(=O)c3ccccc3C12C
InChIInChI=1S/C12H14N2O/c1-12-10-6-4-3-5-9(10)11(15)14(12)8-7-13(12)2/h3-6H,7-8H2,1-2H3
InChIKeyYWGUREHCYTWZLO-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.26
Rot. Bonds

About 1,9b-dimethyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one

1,9b-dimethyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one (PubChem CID 21398427) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1,9b-dimethyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name1,9b-dimethyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one
PubChem CID21398427
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1,9b-dimethyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESCN1CCN2C(=O)c3ccccc3C12C
InChIInChI=1S/C12H14N2O/c1-12-10-6-4-3-5-9(10)11(15)14(12)8-7-13(12)2/h3-6H,7-8H2,1-2H3
InChIKeyYWGUREHCYTWZLO-UHFFFAOYSA-N
XLogP1.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,9b-dimethyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The IUPAC name of 1,9b-dimethyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one (CID 21398427) is 1,9b-dimethyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for 1,9b-dimethyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The canonical SMILES for 1,9b-dimethyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one is CN1CCN2C(=O)c3ccccc3C12C.
What is the InChIKey of 1,9b-dimethyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The InChIKey is YWGUREHCYTWZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-12-10-6-4-3-5-9(10)11(15)14(12)8-7-13(12)2/h3-6H,7-8H2,1-2H3.
What are the key properties of 1,9b-dimethyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
1,9b-dimethyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one has a molecular weight of 202.26 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9b-dimethyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 21398427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).