1H-pyrrol-2-ylmethanamine

C5H8N2 — CID 10996966

IUPAC1H-pyrrol-2-ylmethanamine
SMILESNCc1ccc[nH]1
InChIInChI=1S/C5H8N2/c6-4-5-2-1-3-7-5/h1-3,7H,4,6H2
InChIKeyYXMWGHKZTMANIJ-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.47
Rot. Bonds1

About 1H-pyrrol-2-ylmethanamine

1H-pyrrol-2-ylmethanamine (PubChem CID 10996966) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 1H-pyrrol-2-ylmethanamine.

Molecular Properties

Compound Name1H-pyrrol-2-ylmethanamine
PubChem CID10996966
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name1H-pyrrol-2-ylmethanamine
SMILESNCc1ccc[nH]1
InChIInChI=1S/C5H8N2/c6-4-5-2-1-3-7-5/h1-3,7H,4,6H2
InChIKeyYXMWGHKZTMANIJ-UHFFFAOYSA-N
XLogP0.47
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrol-2-ylmethanamine?
The IUPAC name of 1H-pyrrol-2-ylmethanamine (CID 10996966) is 1H-pyrrol-2-ylmethanamine.
What is the SMILES notation for 1H-pyrrol-2-ylmethanamine?
The canonical SMILES for 1H-pyrrol-2-ylmethanamine is NCc1ccc[nH]1.
What is the InChIKey of 1H-pyrrol-2-ylmethanamine?
The InChIKey is YXMWGHKZTMANIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c6-4-5-2-1-3-7-5/h1-3,7H,4,6H2.
What are the key properties of 1H-pyrrol-2-ylmethanamine?
1H-pyrrol-2-ylmethanamine has a molecular weight of 96.13 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrol-2-ylmethanamine is sourced from PubChem (CID 10996966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).