3-methylidene-4H-isoquinoline

C10H9N — CID 57452380

IUPAC3-methylidene-4H-isoquinoline
SMILESC=C1Cc2ccccc2C=N1
InChIInChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-5,7H,1,6H2
InChIKeyNXEXLIAQASSWOR-UHFFFAOYSA-N
MW143.19 g/mol
LogP2.18
Rot. Bonds

About 3-methylidene-4H-isoquinoline

3-methylidene-4H-isoquinoline (PubChem CID 57452380) has the molecular formula C10H9N and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-methylidene-4H-isoquinoline.

Molecular Properties

Compound Name3-methylidene-4H-isoquinoline
PubChem CID57452380
Molecular FormulaC10H9N
Molecular Weight143.19 g/mol
Exact Mass143.07
IUPAC Name3-methylidene-4H-isoquinoline
SMILESC=C1Cc2ccccc2C=N1
InChIInChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-5,7H,1,6H2
InChIKeyNXEXLIAQASSWOR-UHFFFAOYSA-N
XLogP2.18
TPSA12.36 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 ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-4H-isoquinoline?
The IUPAC name of 3-methylidene-4H-isoquinoline (CID 57452380) is 3-methylidene-4H-isoquinoline.
What is the SMILES notation for 3-methylidene-4H-isoquinoline?
The canonical SMILES for 3-methylidene-4H-isoquinoline is C=C1Cc2ccccc2C=N1.
What is the InChIKey of 3-methylidene-4H-isoquinoline?
The InChIKey is NXEXLIAQASSWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-5,7H,1,6H2.
What are the key properties of 3-methylidene-4H-isoquinoline?
3-methylidene-4H-isoquinoline has a molecular weight of 143.19 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-4H-isoquinoline is sourced from PubChem (CID 57452380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).