2-(3H-pyrrol-4-yl)ethanamine

C6H10N2 — CID 119090608

IUPAC2-(3H-pyrrol-4-yl)ethanamine
SMILESNCCC1=CN=CC1
InChIInChI=1S/C6H10N2/c7-3-1-6-2-4-8-5-6/h4-5H,1-3,7H2
InChIKeyMYGFIJDSJXJLMJ-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.69
Rot. Bonds2

About 2-(3H-pyrrol-4-yl)ethanamine

2-(3H-pyrrol-4-yl)ethanamine (PubChem CID 119090608) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 2-(3H-pyrrol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3H-pyrrol-4-yl)ethanamine
PubChem CID119090608
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name2-(3H-pyrrol-4-yl)ethanamine
SMILESNCCC1=CN=CC1
InChIInChI=1S/C6H10N2/c7-3-1-6-2-4-8-5-6/h4-5H,1-3,7H2
InChIKeyMYGFIJDSJXJLMJ-UHFFFAOYSA-N
XLogP0.69
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3H-pyrrol-4-yl)ethanamine?
The IUPAC name of 2-(3H-pyrrol-4-yl)ethanamine (CID 119090608) is 2-(3H-pyrrol-4-yl)ethanamine.
What is the SMILES notation for 2-(3H-pyrrol-4-yl)ethanamine?
The canonical SMILES for 2-(3H-pyrrol-4-yl)ethanamine is NCCC1=CN=CC1.
What is the InChIKey of 2-(3H-pyrrol-4-yl)ethanamine?
The InChIKey is MYGFIJDSJXJLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c7-3-1-6-2-4-8-5-6/h4-5H,1-3,7H2.
What are the key properties of 2-(3H-pyrrol-4-yl)ethanamine?
2-(3H-pyrrol-4-yl)ethanamine has a molecular weight of 110.16 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-pyrrol-4-yl)ethanamine is sourced from PubChem (CID 119090608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).