2-(1H-pyrrol-3-yl)ethanamine

C6H10N2 — CID 13437354

IUPAC2-(1H-pyrrol-3-yl)ethanamine
SMILESNCCc1cc[nH]c1
InChIInChI=1S/C6H10N2/c7-3-1-6-2-4-8-5-6/h2,4-5,8H,1,3,7H2
InChIKeyZBJSHMBQYSDTGK-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.52
Rot. Bonds2

About 2-(1H-pyrrol-3-yl)ethanamine

2-(1H-pyrrol-3-yl)ethanamine (PubChem CID 13437354) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 2-(1H-pyrrol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1H-pyrrol-3-yl)ethanamine
PubChem CID13437354
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name2-(1H-pyrrol-3-yl)ethanamine
SMILESNCCc1cc[nH]c1
InChIInChI=1S/C6H10N2/c7-3-1-6-2-4-8-5-6/h2,4-5,8H,1,3,7H2
InChIKeyZBJSHMBQYSDTGK-UHFFFAOYSA-N
XLogP0.52
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-3-yl)ethanamine?
The IUPAC name of 2-(1H-pyrrol-3-yl)ethanamine (CID 13437354) is 2-(1H-pyrrol-3-yl)ethanamine.
What is the SMILES notation for 2-(1H-pyrrol-3-yl)ethanamine?
The canonical SMILES for 2-(1H-pyrrol-3-yl)ethanamine is NCCc1cc[nH]c1.
What is the InChIKey of 2-(1H-pyrrol-3-yl)ethanamine?
The InChIKey is ZBJSHMBQYSDTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c7-3-1-6-2-4-8-5-6/h2,4-5,8H,1,3,7H2.
What are the key properties of 2-(1H-pyrrol-3-yl)ethanamine?
2-(1H-pyrrol-3-yl)ethanamine has a molecular weight of 110.16 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-3-yl)ethanamine is sourced from PubChem (CID 13437354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).