3-methyl-1a,7b-dihydro-1H-cyclopropa[h]isoquinoline

C11H11N — CID 143641035

IUPAC3-methyl-1a,7b-dihydro-1H-cyclopropa[h]isoquinoline
SMILESCC1=CC2CC2c2cnccc21
InChIInChI=1S/C11H11N/c1-7-4-8-5-10(8)11-6-12-3-2-9(7)11/h2-4,6,8,10H,5H2,1H3
InChIKeyMXIJGPUTDZYVNU-UHFFFAOYSA-N
MW157.22 g/mol
LogP2.60
Rot. Bonds

About 3-methyl-1a,7b-dihydro-1H-cyclopropa[h]isoquinoline

3-methyl-1a,7b-dihydro-1H-cyclopropa[h]isoquinoline (PubChem CID 143641035) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 3-methyl-1a,7b-dihydro-1H-cyclopropa[h]isoquinoline.

Molecular Properties

Compound Name3-methyl-1a,7b-dihydro-1H-cyclopropa[h]isoquinoline
PubChem CID143641035
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name3-methyl-1a,7b-dihydro-1H-cyclopropa[h]isoquinoline
SMILESCC1=CC2CC2c2cnccc21
InChIInChI=1S/C11H11N/c1-7-4-8-5-10(8)11-6-12-3-2-9(7)11/h2-4,6,8,10H,5H2,1H3
InChIKeyMXIJGPUTDZYVNU-UHFFFAOYSA-N
XLogP2.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1a,7b-dihydro-1H-cyclopropa[h]isoquinoline?
The IUPAC name of 3-methyl-1a,7b-dihydro-1H-cyclopropa[h]isoquinoline (CID 143641035) is 3-methyl-1a,7b-dihydro-1H-cyclopropa[h]isoquinoline.
What is the SMILES notation for 3-methyl-1a,7b-dihydro-1H-cyclopropa[h]isoquinoline?
The canonical SMILES for 3-methyl-1a,7b-dihydro-1H-cyclopropa[h]isoquinoline is CC1=CC2CC2c2cnccc21.
What is the InChIKey of 3-methyl-1a,7b-dihydro-1H-cyclopropa[h]isoquinoline?
The InChIKey is MXIJGPUTDZYVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-7-4-8-5-10(8)11-6-12-3-2-9(7)11/h2-4,6,8,10H,5H2,1H3.
What are the key properties of 3-methyl-1a,7b-dihydro-1H-cyclopropa[h]isoquinoline?
3-methyl-1a,7b-dihydro-1H-cyclopropa[h]isoquinoline has a molecular weight of 157.22 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1a,7b-dihydro-1H-cyclopropa[h]isoquinoline is sourced from PubChem (CID 143641035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).