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

C6H10N2 — CID 68876822

IUPAC(1S)-1-(2H-pyrrol-3-yl)ethanamine
SMILESC[C@H](N)C1=CC=NC1
InChIInChI=1S/C6H10N2/c1-5(7)6-2-3-8-4-6/h2-3,5H,4,7H2,1H3/t5-/m0/s1
InChIKeyFAEJGYASNYZSHT-YFKPBYRVSA-N
MW110.16 g/mol
LogP0.34
Rot. Bonds1

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

(1S)-1-(2H-pyrrol-3-yl)ethanamine (PubChem CID 68876822) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (1S)-1-(2H-pyrrol-3-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(2H-pyrrol-3-yl)ethanamine
PubChem CID68876822
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(1S)-1-(2H-pyrrol-3-yl)ethanamine
SMILESC[C@H](N)C1=CC=NC1
InChIInChI=1S/C6H10N2/c1-5(7)6-2-3-8-4-6/h2-3,5H,4,7H2,1H3/t5-/m0/s1
InChIKeyFAEJGYASNYZSHT-YFKPBYRVSA-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 (1S)-1-(2H-pyrrol-3-yl)ethanamine?
The IUPAC name of (1S)-1-(2H-pyrrol-3-yl)ethanamine (CID 68876822) is (1S)-1-(2H-pyrrol-3-yl)ethanamine.
What is the SMILES notation for (1S)-1-(2H-pyrrol-3-yl)ethanamine?
The canonical SMILES for (1S)-1-(2H-pyrrol-3-yl)ethanamine is C[C@H](N)C1=CC=NC1.
What is the InChIKey of (1S)-1-(2H-pyrrol-3-yl)ethanamine?
The InChIKey is FAEJGYASNYZSHT-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10N2/c1-5(7)6-2-3-8-4-6/h2-3,5H,4,7H2,1H3/t5-/m0/s1.
What are the key properties of (1S)-1-(2H-pyrrol-3-yl)ethanamine?
(1S)-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 (1S)-1-(2H-pyrrol-3-yl)ethanamine is sourced from PubChem (CID 68876822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).