pyrrolo[2,3-i]isoquinoline

C11H8N2 — CID 139263070

IUPACpyrrolo[2,3-i]isoquinoline
SMILESC1=CC2=NC=CC23C=NC=CC3=C1
InChIInChI=1S/C11H8N2/c1-2-9-4-6-12-8-11(9)5-7-13-10(11)3-1/h1-8H
InChIKeyKIFZOTOMYBQPOK-UHFFFAOYSA-N
MW168.20 g/mol
LogP2.04
Rot. Bonds

About pyrrolo[2,3-i]isoquinoline

pyrrolo[2,3-i]isoquinoline (PubChem CID 139263070) has the molecular formula C11H8N2 and a molecular weight of 168.20 g/mol. Its IUPAC name is pyrrolo[2,3-i]isoquinoline.

Molecular Properties

Compound Namepyrrolo[2,3-i]isoquinoline
PubChem CID139263070
Molecular FormulaC11H8N2
Molecular Weight168.20 g/mol
Exact Mass168.07
IUPAC Namepyrrolo[2,3-i]isoquinoline
SMILESC1=CC2=NC=CC23C=NC=CC3=C1
InChIInChI=1S/C11H8N2/c1-2-9-4-6-12-8-11(9)5-7-13-10(11)3-1/h1-8H
InChIKeyKIFZOTOMYBQPOK-UHFFFAOYSA-N
XLogP2.04
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyrrolo[2,3-i]isoquinoline?
The IUPAC name of pyrrolo[2,3-i]isoquinoline (CID 139263070) is pyrrolo[2,3-i]isoquinoline.
What is the SMILES notation for pyrrolo[2,3-i]isoquinoline?
The canonical SMILES for pyrrolo[2,3-i]isoquinoline is C1=CC2=NC=CC23C=NC=CC3=C1.
What is the InChIKey of pyrrolo[2,3-i]isoquinoline?
The InChIKey is KIFZOTOMYBQPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2/c1-2-9-4-6-12-8-11(9)5-7-13-10(11)3-1/h1-8H.
What are the key properties of pyrrolo[2,3-i]isoquinoline?
pyrrolo[2,3-i]isoquinoline has a molecular weight of 168.20 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[2,3-i]isoquinoline is sourced from PubChem (CID 139263070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).