1-methylisoquinoline

C10H9N — CID 15592

IUPAC1-methylisoquinoline
SMILESCc1nccc2ccccc12
InChIInChI=1S/C10H9N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-7H,1H3
InChIKeyPBYMYAJONQZORL-UHFFFAOYSA-N
MW143.19 g/mol
LogP2.54
Rot. Bonds

About 1-methylisoquinoline

1-methylisoquinoline (PubChem CID 15592) has the molecular formula C10H9N and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-methylisoquinoline.

Molecular Properties

Compound Name1-methylisoquinoline
PubChem CID15592
Molecular FormulaC10H9N
Molecular Weight143.19 g/mol
Exact Mass143.07
IUPAC Name1-methylisoquinoline
SMILESCc1nccc2ccccc12
InChIInChI=1S/C10H9N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-7H,1H3
InChIKeyPBYMYAJONQZORL-UHFFFAOYSA-N
XLogP2.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methylisoquinoline?
The IUPAC name of 1-methylisoquinoline (CID 15592) is 1-methylisoquinoline.
What is the SMILES notation for 1-methylisoquinoline?
The canonical SMILES for 1-methylisoquinoline is Cc1nccc2ccccc12.
What is the InChIKey of 1-methylisoquinoline?
The InChIKey is PBYMYAJONQZORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-7H,1H3.
What are the key properties of 1-methylisoquinoline?
1-methylisoquinoline has a molecular weight of 143.19 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylisoquinoline is sourced from PubChem (CID 15592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).