2-pyrrol-1-ylethanamine

C6H10N2 — CID 2763816

IUPAC2-pyrrol-1-ylethanamine
SMILESNCCn1cccc1
InChIInChI=1S/C6H10N2/c7-3-6-8-4-1-2-5-8/h1-2,4-5H,3,6-7H2
InChIKeyHPDIRFBJYSOVKW-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.45
Rot. Bonds2

About 2-pyrrol-1-ylethanamine

2-pyrrol-1-ylethanamine (PubChem CID 2763816) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 2-pyrrol-1-ylethanamine.

Molecular Properties

Compound Name2-pyrrol-1-ylethanamine
PubChem CID2763816
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name2-pyrrol-1-ylethanamine
SMILESNCCn1cccc1
InChIInChI=1S/C6H10N2/c7-3-6-8-4-1-2-5-8/h1-2,4-5H,3,6-7H2
InChIKeyHPDIRFBJYSOVKW-UHFFFAOYSA-N
XLogP0.45
TPSA30.95 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 ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrol-1-ylethanamine?
The IUPAC name of 2-pyrrol-1-ylethanamine (CID 2763816) is 2-pyrrol-1-ylethanamine.
What is the SMILES notation for 2-pyrrol-1-ylethanamine?
The canonical SMILES for 2-pyrrol-1-ylethanamine is NCCn1cccc1.
What is the InChIKey of 2-pyrrol-1-ylethanamine?
The InChIKey is HPDIRFBJYSOVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c7-3-6-8-4-1-2-5-8/h1-2,4-5H,3,6-7H2.
What are the key properties of 2-pyrrol-1-ylethanamine?
2-pyrrol-1-ylethanamine has a molecular weight of 110.16 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrol-1-ylethanamine is sourced from PubChem (CID 2763816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).