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

C6H10N2 — CID 123818544

IUPAC(1R)-1-(3H-pyrrol-2-yl)ethanamine
SMILESC[C@@H](N)C1=NC=CC1
InChIInChI=1S/C6H10N2/c1-5(7)6-3-2-4-8-6/h2,4-5H,3,7H2,1H3/t5-/m1/s1
InChIKeyNZCGGMATZXFCCV-RXMQYKEDSA-N
MW110.16 g/mol
LogP0.69
Rot. Bonds1

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

(1R)-1-(3H-pyrrol-2-yl)ethanamine (PubChem CID 123818544) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (1R)-1-(3H-pyrrol-2-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3H-pyrrol-2-yl)ethanamine
PubChem CID123818544
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(1R)-1-(3H-pyrrol-2-yl)ethanamine
SMILESC[C@@H](N)C1=NC=CC1
InChIInChI=1S/C6H10N2/c1-5(7)6-3-2-4-8-6/h2,4-5H,3,7H2,1H3/t5-/m1/s1
InChIKeyNZCGGMATZXFCCV-RXMQYKEDSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(3H-pyrrol-2-yl)methanamine
CID 58168955
3H-pyrrol-2-ylmethanamine
CID 58305156
3-(3H-pyrrol-2-yl)propan-1-amine
CID 58381456
CID 58427153
CID 58427153
CID 58427161
CID 58427161
(1S)-N-methyl-1-(3H-pyrrol-2-yl)ethanamine
CID 58427185
(1R)-N-methyl-1-(3H-pyrrol-2-yl)ethanamine
CID 58427201
2-methyl-3H-pyrrol-3-amine
CID 67580042
4-(3H-pyrrol-2-yl)butan-1-amine
CID 68451847
2-(3,4-dihydro-2H-pyrrol-5-yl)ethenamine
CID 70629717
(Z)-3-ethenyliminopent-1-ene-1,5-diamine
CID 89018201
4-[(Z)-prop-1-enyl]iminopentan-2-amine
CID 90051371

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3H-pyrrol-2-yl)ethanamine?
The IUPAC name of (1R)-1-(3H-pyrrol-2-yl)ethanamine (CID 123818544) is (1R)-1-(3H-pyrrol-2-yl)ethanamine.
What is the SMILES notation for (1R)-1-(3H-pyrrol-2-yl)ethanamine?
The canonical SMILES for (1R)-1-(3H-pyrrol-2-yl)ethanamine is C[C@@H](N)C1=NC=CC1.
What is the InChIKey of (1R)-1-(3H-pyrrol-2-yl)ethanamine?
The InChIKey is NZCGGMATZXFCCV-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H10N2/c1-5(7)6-3-2-4-8-6/h2,4-5H,3,7H2,1H3/t5-/m1/s1.
What are the key properties of (1R)-1-(3H-pyrrol-2-yl)ethanamine?
(1R)-1-(3H-pyrrol-2-yl)ethanamine has a molecular weight of 110.16 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3H-pyrrol-2-yl)ethanamine is sourced from PubChem (CID 123818544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).