11H-benzo[i]isoquinoline

C13H11N — CID 54283789

IUPAC11H-benzo[i]isoquinoline
SMILESC1=CCC23C=NC=CC2=CC=CC3=C1
InChIInChI=1S/C13H11N/c1-2-8-13-10-14-9-7-12(13)6-3-5-11(13)4-1/h1-7,9-10H,8H2
InChIKeyRSQZLVJXZUVIFH-UHFFFAOYSA-N
MW181.24 g/mol
LogP2.95
Rot. Bonds

About 11H-benzo[i]isoquinoline

11H-benzo[i]isoquinoline (PubChem CID 54283789) has the molecular formula C13H11N and a molecular weight of 181.24 g/mol. Its IUPAC name is 11H-benzo[i]isoquinoline.

Molecular Properties

Compound Name11H-benzo[i]isoquinoline
PubChem CID54283789
Molecular FormulaC13H11N
Molecular Weight181.24 g/mol
Exact Mass181.09
IUPAC Name11H-benzo[i]isoquinoline
SMILESC1=CCC23C=NC=CC2=CC=CC3=C1
InChIInChI=1S/C13H11N/c1-2-8-13-10-14-9-7-12(13)6-3-5-11(13)4-1/h1-7,9-10H,8H2
InChIKeyRSQZLVJXZUVIFH-UHFFFAOYSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 11H-benzo[i]isoquinoline?
The IUPAC name of 11H-benzo[i]isoquinoline (CID 54283789) is 11H-benzo[i]isoquinoline.
What is the SMILES notation for 11H-benzo[i]isoquinoline?
The canonical SMILES for 11H-benzo[i]isoquinoline is C1=CCC23C=NC=CC2=CC=CC3=C1.
What is the InChIKey of 11H-benzo[i]isoquinoline?
The InChIKey is RSQZLVJXZUVIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N/c1-2-8-13-10-14-9-7-12(13)6-3-5-11(13)4-1/h1-7,9-10H,8H2.
What are the key properties of 11H-benzo[i]isoquinoline?
11H-benzo[i]isoquinoline has a molecular weight of 181.24 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11H-benzo[i]isoquinoline is sourced from PubChem (CID 54283789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).