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

C6H10N2 — CID 18519004

IUPAC1-(2H-pyrrol-3-yl)ethanamine
SMILESCC(N)C1=CC=NC1
InChIInChI=1S/C6H10N2/c1-5(7)6-2-3-8-4-6/h2-3,5H,4,7H2,1H3
InChIKeyFAEJGYASNYZSHT-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.34
Rot. Bonds1

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

1-(2H-pyrrol-3-yl)ethanamine (PubChem CID 18519004) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 1-(2H-pyrrol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2H-pyrrol-3-yl)ethanamine
PubChem CID18519004
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name1-(2H-pyrrol-3-yl)ethanamine
SMILESCC(N)C1=CC=NC1
InChIInChI=1S/C6H10N2/c1-5(7)6-2-3-8-4-6/h2-3,5H,4,7H2,1H3
InChIKeyFAEJGYASNYZSHT-UHFFFAOYSA-N
XLogP0.34
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-pyrrol-3-yl)ethanamine?
The IUPAC name of 1-(2H-pyrrol-3-yl)ethanamine (CID 18519004) is 1-(2H-pyrrol-3-yl)ethanamine.
What is the SMILES notation for 1-(2H-pyrrol-3-yl)ethanamine?
The canonical SMILES for 1-(2H-pyrrol-3-yl)ethanamine is CC(N)C1=CC=NC1.
What is the InChIKey of 1-(2H-pyrrol-3-yl)ethanamine?
The InChIKey is FAEJGYASNYZSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-5(7)6-2-3-8-4-6/h2-3,5H,4,7H2,1H3.
What are the key properties of 1-(2H-pyrrol-3-yl)ethanamine?
1-(2H-pyrrol-3-yl)ethanamine has a molecular weight of 110.16 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-pyrrol-3-yl)ethanamine is sourced from PubChem (CID 18519004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).