5-ethenyl-6-methyl-7,8-dihydroisoquinoline

C12H13N — CID 146521730

IUPAC5-ethenyl-6-methyl-7,8-dihydroisoquinoline
SMILESC=CC1=C(C)CCc2cnccc21
InChIInChI=1S/C12H13N/c1-3-11-9(2)4-5-10-8-13-7-6-12(10)11/h3,6-8H,1,4-5H2,2H3
InChIKeyAIMVMRUZUMTNTC-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.99
Rot. Bonds1

About 5-ethenyl-6-methyl-7,8-dihydroisoquinoline

5-ethenyl-6-methyl-7,8-dihydroisoquinoline (PubChem CID 146521730) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 5-ethenyl-6-methyl-7,8-dihydroisoquinoline.

Molecular Properties

Compound Name5-ethenyl-6-methyl-7,8-dihydroisoquinoline
PubChem CID146521730
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name5-ethenyl-6-methyl-7,8-dihydroisoquinoline
SMILESC=CC1=C(C)CCc2cnccc21
InChIInChI=1S/C12H13N/c1-3-11-9(2)4-5-10-8-13-7-6-12(10)11/h3,6-8H,1,4-5H2,2H3
InChIKeyAIMVMRUZUMTNTC-UHFFFAOYSA-N
XLogP2.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-6-methyl-7,8-dihydroisoquinoline?
The IUPAC name of 5-ethenyl-6-methyl-7,8-dihydroisoquinoline (CID 146521730) is 5-ethenyl-6-methyl-7,8-dihydroisoquinoline.
What is the SMILES notation for 5-ethenyl-6-methyl-7,8-dihydroisoquinoline?
The canonical SMILES for 5-ethenyl-6-methyl-7,8-dihydroisoquinoline is C=CC1=C(C)CCc2cnccc21.
What is the InChIKey of 5-ethenyl-6-methyl-7,8-dihydroisoquinoline?
The InChIKey is AIMVMRUZUMTNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-3-11-9(2)4-5-10-8-13-7-6-12(10)11/h3,6-8H,1,4-5H2,2H3.
What are the key properties of 5-ethenyl-6-methyl-7,8-dihydroisoquinoline?
5-ethenyl-6-methyl-7,8-dihydroisoquinoline has a molecular weight of 171.24 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-6-methyl-7,8-dihydroisoquinoline is sourced from PubChem (CID 146521730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).