1,2,3,5a-tetrahydroimidazo[2,1-a]isoindol-5-one

C10H10N2O — CID 154172285

IUPAC1,2,3,5a-tetrahydroimidazo[2,1-a]isoindol-5-one
SMILESO=C1C2C=CC=CC2=C2NCCN12
InChIInChI=1S/C10H10N2O/c13-10-8-4-2-1-3-7(8)9-11-5-6-12(9)10/h1-4,8,11H,5-6H2
InChIKeyFHIHFLITYODOCW-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.39
Rot. Bonds

About 1,2,3,5a-tetrahydroimidazo[2,1-a]isoindol-5-one

1,2,3,5a-tetrahydroimidazo[2,1-a]isoindol-5-one (PubChem CID 154172285) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 1,2,3,5a-tetrahydroimidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name1,2,3,5a-tetrahydroimidazo[2,1-a]isoindol-5-one
PubChem CID154172285
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name1,2,3,5a-tetrahydroimidazo[2,1-a]isoindol-5-one
SMILESO=C1C2C=CC=CC2=C2NCCN12
InChIInChI=1S/C10H10N2O/c13-10-8-4-2-1-3-7(8)9-11-5-6-12(9)10/h1-4,8,11H,5-6H2
InChIKeyFHIHFLITYODOCW-UHFFFAOYSA-N
XLogP0.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5a-tetrahydroimidazo[2,1-a]isoindol-5-one?
The IUPAC name of 1,2,3,5a-tetrahydroimidazo[2,1-a]isoindol-5-one (CID 154172285) is 1,2,3,5a-tetrahydroimidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for 1,2,3,5a-tetrahydroimidazo[2,1-a]isoindol-5-one?
The canonical SMILES for 1,2,3,5a-tetrahydroimidazo[2,1-a]isoindol-5-one is O=C1C2C=CC=CC2=C2NCCN12.
What is the InChIKey of 1,2,3,5a-tetrahydroimidazo[2,1-a]isoindol-5-one?
The InChIKey is FHIHFLITYODOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c13-10-8-4-2-1-3-7(8)9-11-5-6-12(9)10/h1-4,8,11H,5-6H2.
What are the key properties of 1,2,3,5a-tetrahydroimidazo[2,1-a]isoindol-5-one?
1,2,3,5a-tetrahydroimidazo[2,1-a]isoindol-5-one has a molecular weight of 174.20 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5a-tetrahydroimidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 154172285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).