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

C6H10N2 — CID 16641592

IUPAC1-(1H-pyrrol-2-yl)ethanamine
SMILESCC(N)c1ccc[nH]1
InChIInChI=1S/C6H10N2/c1-5(7)6-3-2-4-8-6/h2-5,8H,7H2,1H3
InChIKeyKYCDNQPIQHCAFW-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.03
Rot. Bonds1

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

1-(1H-pyrrol-2-yl)ethanamine (PubChem CID 16641592) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 1-(1H-pyrrol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(1H-pyrrol-2-yl)ethanamine
PubChem CID16641592
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name1-(1H-pyrrol-2-yl)ethanamine
SMILESCC(N)c1ccc[nH]1
InChIInChI=1S/C6H10N2/c1-5(7)6-3-2-4-8-6/h2-5,8H,7H2,1H3
InChIKeyKYCDNQPIQHCAFW-UHFFFAOYSA-N
XLogP1.03
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrol-2-yl)ethanamine?
The IUPAC name of 1-(1H-pyrrol-2-yl)ethanamine (CID 16641592) is 1-(1H-pyrrol-2-yl)ethanamine.
What is the SMILES notation for 1-(1H-pyrrol-2-yl)ethanamine?
The canonical SMILES for 1-(1H-pyrrol-2-yl)ethanamine is CC(N)c1ccc[nH]1.
What is the InChIKey of 1-(1H-pyrrol-2-yl)ethanamine?
The InChIKey is KYCDNQPIQHCAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-5(7)6-3-2-4-8-6/h2-5,8H,7H2,1H3.
What are the key properties of 1-(1H-pyrrol-2-yl)ethanamine?
1-(1H-pyrrol-2-yl)ethanamine has a molecular weight of 110.16 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrol-2-yl)ethanamine is sourced from PubChem (CID 16641592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).