1,4,10a,10b-tetrahydropyrimido[2,1-a]isoindole

C11H12N2 — CID 91726095

IUPAC1,4,10a,10b-tetrahydropyrimido[2,1-a]isoindole
SMILESC1=CC2=CN3CC=CNC3C2C=C1
InChIInChI=1S/C11H12N2/c1-2-5-10-9(4-1)8-13-7-3-6-12-11(10)13/h1-6,8,10-12H,7H2
InChIKeyLVRLZAISBSVUML-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.37
Rot. Bonds

About 1,4,10a,10b-tetrahydropyrimido[2,1-a]isoindole

1,4,10a,10b-tetrahydropyrimido[2,1-a]isoindole (PubChem CID 91726095) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1,4,10a,10b-tetrahydropyrimido[2,1-a]isoindole.

Molecular Properties

Compound Name1,4,10a,10b-tetrahydropyrimido[2,1-a]isoindole
PubChem CID91726095
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name1,4,10a,10b-tetrahydropyrimido[2,1-a]isoindole
SMILESC1=CC2=CN3CC=CNC3C2C=C1
InChIInChI=1S/C11H12N2/c1-2-5-10-9(4-1)8-13-7-3-6-12-11(10)13/h1-6,8,10-12H,7H2
InChIKeyLVRLZAISBSVUML-UHFFFAOYSA-N
XLogP1.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,4,10a,10b-tetrahydropyrimido[2,1-a]isoindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4,10a,10b-tetrahydropyrimido[2,1-a]isoindole?
The IUPAC name of 1,4,10a,10b-tetrahydropyrimido[2,1-a]isoindole (CID 91726095) is 1,4,10a,10b-tetrahydropyrimido[2,1-a]isoindole.
What is the SMILES notation for 1,4,10a,10b-tetrahydropyrimido[2,1-a]isoindole?
The canonical SMILES for 1,4,10a,10b-tetrahydropyrimido[2,1-a]isoindole is C1=CC2=CN3CC=CNC3C2C=C1.
What is the InChIKey of 1,4,10a,10b-tetrahydropyrimido[2,1-a]isoindole?
The InChIKey is LVRLZAISBSVUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-2-5-10-9(4-1)8-13-7-3-6-12-11(10)13/h1-6,8,10-12H,7H2.
What are the key properties of 1,4,10a,10b-tetrahydropyrimido[2,1-a]isoindole?
1,4,10a,10b-tetrahydropyrimido[2,1-a]isoindole has a molecular weight of 172.23 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,10a,10b-tetrahydropyrimido[2,1-a]isoindole is sourced from PubChem (CID 91726095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).