(10aS)-2-methyl-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-3-one

C12H14N2O — CID 129065490

IUPAC(10aS)-2-methyl-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-3-one
SMILESCN1C[C@@H]2Cc3ccccc3CN2C1=O
InChIInChI=1S/C12H14N2O/c1-13-8-11-6-9-4-2-3-5-10(9)7-14(11)12(13)15/h2-5,11H,6-8H2,1H3/t11-/m0/s1
InChIKeyMPMHAYOXEYGKJC-NSHDSACASA-N
MW202.26 g/mol
LogP1.48
Rot. Bonds

About (10aS)-2-methyl-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-3-one

(10aS)-2-methyl-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-3-one (PubChem CID 129065490) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (10aS)-2-methyl-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-3-one.

Molecular Properties

Compound Name(10aS)-2-methyl-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-3-one
PubChem CID129065490
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(10aS)-2-methyl-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-3-one
SMILESCN1C[C@@H]2Cc3ccccc3CN2C1=O
InChIInChI=1S/C12H14N2O/c1-13-8-11-6-9-4-2-3-5-10(9)7-14(11)12(13)15/h2-5,11H,6-8H2,1H3/t11-/m0/s1
InChIKeyMPMHAYOXEYGKJC-NSHDSACASA-N
XLogP1.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (10aS)-2-methyl-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-3-one?
The IUPAC name of (10aS)-2-methyl-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-3-one (CID 129065490) is (10aS)-2-methyl-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-3-one.
What is the SMILES notation for (10aS)-2-methyl-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-3-one?
The canonical SMILES for (10aS)-2-methyl-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-3-one is CN1C[C@@H]2Cc3ccccc3CN2C1=O.
What is the InChIKey of (10aS)-2-methyl-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-3-one?
The InChIKey is MPMHAYOXEYGKJC-NSHDSACASA-N. The full InChI is InChI=1S/C12H14N2O/c1-13-8-11-6-9-4-2-3-5-10(9)7-14(11)12(13)15/h2-5,11H,6-8H2,1H3/t11-/m0/s1.
What are the key properties of (10aS)-2-methyl-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-3-one?
(10aS)-2-methyl-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-3-one has a molecular weight of 202.26 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10aS)-2-methyl-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-3-one is sourced from PubChem (CID 129065490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).