2-methyl-1a,7b-dihydro-1H-cyclopropa[c]isoquinolin-3-one

C11H11NO — CID 121006099

IUPAC2-methyl-1a,7b-dihydro-1H-cyclopropa[c]isoquinolin-3-one
SMILESCN1C(=O)c2ccccc2C2CC21
InChIInChI=1S/C11H11NO/c1-12-10-6-9(10)7-4-2-3-5-8(7)11(12)13/h2-5,9-10H,6H2,1H3
InChIKeyLSLBBNFBQGAISC-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.63
Rot. Bonds

About 2-methyl-1a,7b-dihydro-1H-cyclopropa[c]isoquinolin-3-one

2-methyl-1a,7b-dihydro-1H-cyclopropa[c]isoquinolin-3-one (PubChem CID 121006099) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-methyl-1a,7b-dihydro-1H-cyclopropa[c]isoquinolin-3-one.

Molecular Properties

Compound Name2-methyl-1a,7b-dihydro-1H-cyclopropa[c]isoquinolin-3-one
PubChem CID121006099
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name2-methyl-1a,7b-dihydro-1H-cyclopropa[c]isoquinolin-3-one
SMILESCN1C(=O)c2ccccc2C2CC21
InChIInChI=1S/C11H11NO/c1-12-10-6-9(10)7-4-2-3-5-8(7)11(12)13/h2-5,9-10H,6H2,1H3
InChIKeyLSLBBNFBQGAISC-UHFFFAOYSA-N
XLogP1.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methyl-1a,7b-dihydro-1H-cyclopropa[c]isoquinolin-3-one 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 2-methyl-1a,7b-dihydro-1H-cyclopropa[c]isoquinolin-3-one?
The IUPAC name of 2-methyl-1a,7b-dihydro-1H-cyclopropa[c]isoquinolin-3-one (CID 121006099) is 2-methyl-1a,7b-dihydro-1H-cyclopropa[c]isoquinolin-3-one.
What is the SMILES notation for 2-methyl-1a,7b-dihydro-1H-cyclopropa[c]isoquinolin-3-one?
The canonical SMILES for 2-methyl-1a,7b-dihydro-1H-cyclopropa[c]isoquinolin-3-one is CN1C(=O)c2ccccc2C2CC21.
What is the InChIKey of 2-methyl-1a,7b-dihydro-1H-cyclopropa[c]isoquinolin-3-one?
The InChIKey is LSLBBNFBQGAISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-12-10-6-9(10)7-4-2-3-5-8(7)11(12)13/h2-5,9-10H,6H2,1H3.
What are the key properties of 2-methyl-1a,7b-dihydro-1H-cyclopropa[c]isoquinolin-3-one?
2-methyl-1a,7b-dihydro-1H-cyclopropa[c]isoquinolin-3-one has a molecular weight of 173.22 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1a,7b-dihydro-1H-cyclopropa[c]isoquinolin-3-one is sourced from PubChem (CID 121006099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).