8-(1H-pyrrol-3-yl)isoquinoline

C13H10N2 — CID 58813488

IUPAC8-(1H-pyrrol-3-yl)isoquinoline
SMILESc1cc(-c2cc[nH]c2)c2cnccc2c1
InChIInChI=1S/C13H10N2/c1-2-10-4-6-15-9-13(10)12(3-1)11-5-7-14-8-11/h1-9,14H
InChIKeyABSJAYVYSSWUJD-UHFFFAOYSA-N
MW194.24 g/mol
LogP3.23
Rot. Bonds1

About 8-(1H-pyrrol-3-yl)isoquinoline

8-(1H-pyrrol-3-yl)isoquinoline (PubChem CID 58813488) has the molecular formula C13H10N2 and a molecular weight of 194.24 g/mol. Its IUPAC name is 8-(1H-pyrrol-3-yl)isoquinoline.

Molecular Properties

Compound Name8-(1H-pyrrol-3-yl)isoquinoline
PubChem CID58813488
Molecular FormulaC13H10N2
Molecular Weight194.24 g/mol
Exact Mass194.08
IUPAC Name8-(1H-pyrrol-3-yl)isoquinoline
SMILESc1cc(-c2cc[nH]c2)c2cnccc2c1
InChIInChI=1S/C13H10N2/c1-2-10-4-6-15-9-13(10)12(3-1)11-5-7-14-8-11/h1-9,14H
InChIKeyABSJAYVYSSWUJD-UHFFFAOYSA-N
XLogP3.23
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-(1H-pyrrol-3-yl)isoquinoline?
The IUPAC name of 8-(1H-pyrrol-3-yl)isoquinoline (CID 58813488) is 8-(1H-pyrrol-3-yl)isoquinoline.
What is the SMILES notation for 8-(1H-pyrrol-3-yl)isoquinoline?
The canonical SMILES for 8-(1H-pyrrol-3-yl)isoquinoline is c1cc(-c2cc[nH]c2)c2cnccc2c1.
What is the InChIKey of 8-(1H-pyrrol-3-yl)isoquinoline?
The InChIKey is ABSJAYVYSSWUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2/c1-2-10-4-6-15-9-13(10)12(3-1)11-5-7-14-8-11/h1-9,14H.
What are the key properties of 8-(1H-pyrrol-3-yl)isoquinoline?
8-(1H-pyrrol-3-yl)isoquinoline has a molecular weight of 194.24 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-pyrrol-3-yl)isoquinoline is sourced from PubChem (CID 58813488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).