2-(7H-pyrrolo[3,2-g]isoquinolin-8-yl)ethanamine

C13H13N3 — CID 137258721

IUPAC2-(7H-pyrrolo[3,2-g]isoquinolin-8-yl)ethanamine
SMILESNCCc1[nH]ccc2cc3ccnc3cc12
InChIInChI=1S/C13H13N3/c14-4-1-12-11-8-13-10(3-6-16-13)7-9(11)2-5-15-12/h2-3,5-8,15H,1,4,14H2
InChIKeyQXLAAXPOHFCWHU-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.22
Rot. Bonds2

About 2-(7H-pyrrolo[3,2-g]isoquinolin-8-yl)ethanamine

2-(7H-pyrrolo[3,2-g]isoquinolin-8-yl)ethanamine (PubChem CID 137258721) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-(7H-pyrrolo[3,2-g]isoquinolin-8-yl)ethanamine.

Molecular Properties

Compound Name2-(7H-pyrrolo[3,2-g]isoquinolin-8-yl)ethanamine
PubChem CID137258721
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name2-(7H-pyrrolo[3,2-g]isoquinolin-8-yl)ethanamine
SMILESNCCc1[nH]ccc2cc3ccnc3cc12
InChIInChI=1S/C13H13N3/c14-4-1-12-11-8-13-10(3-6-16-13)7-9(11)2-5-15-12/h2-3,5-8,15H,1,4,14H2
InChIKeyQXLAAXPOHFCWHU-UHFFFAOYSA-N
XLogP2.22
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7H-pyrrolo[3,2-g]isoquinolin-8-yl)ethanamine?
The IUPAC name of 2-(7H-pyrrolo[3,2-g]isoquinolin-8-yl)ethanamine (CID 137258721) is 2-(7H-pyrrolo[3,2-g]isoquinolin-8-yl)ethanamine.
What is the SMILES notation for 2-(7H-pyrrolo[3,2-g]isoquinolin-8-yl)ethanamine?
The canonical SMILES for 2-(7H-pyrrolo[3,2-g]isoquinolin-8-yl)ethanamine is NCCc1[nH]ccc2cc3ccnc3cc12.
What is the InChIKey of 2-(7H-pyrrolo[3,2-g]isoquinolin-8-yl)ethanamine?
The InChIKey is QXLAAXPOHFCWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c14-4-1-12-11-8-13-10(3-6-16-13)7-9(11)2-5-15-12/h2-3,5-8,15H,1,4,14H2.
What are the key properties of 2-(7H-pyrrolo[3,2-g]isoquinolin-8-yl)ethanamine?
2-(7H-pyrrolo[3,2-g]isoquinolin-8-yl)ethanamine has a molecular weight of 211.27 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7H-pyrrolo[3,2-g]isoquinolin-8-yl)ethanamine is sourced from PubChem (CID 137258721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).