1H-pyrrol-3-ylmethanamine

C5H8N2 — CID 23295846

IUPAC1H-pyrrol-3-ylmethanamine
SMILESNCc1cc[nH]c1
InChIInChI=1S/C5H8N2/c6-3-5-1-2-7-4-5/h1-2,4,7H,3,6H2
InChIKeyYECAHBRVIMAHCI-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.47
Rot. Bonds1

About 1H-pyrrol-3-ylmethanamine

1H-pyrrol-3-ylmethanamine (PubChem CID 23295846) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 1H-pyrrol-3-ylmethanamine.

Molecular Properties

Compound Name1H-pyrrol-3-ylmethanamine
PubChem CID23295846
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name1H-pyrrol-3-ylmethanamine
SMILESNCc1cc[nH]c1
InChIInChI=1S/C5H8N2/c6-3-5-1-2-7-4-5/h1-2,4,7H,3,6H2
InChIKeyYECAHBRVIMAHCI-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

Analyze 1H-pyrrol-3-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrol-3-ylmethanamine?
The IUPAC name of 1H-pyrrol-3-ylmethanamine (CID 23295846) is 1H-pyrrol-3-ylmethanamine.
What is the SMILES notation for 1H-pyrrol-3-ylmethanamine?
The canonical SMILES for 1H-pyrrol-3-ylmethanamine is NCc1cc[nH]c1.
What is the InChIKey of 1H-pyrrol-3-ylmethanamine?
The InChIKey is YECAHBRVIMAHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c6-3-5-1-2-7-4-5/h1-2,4,7H,3,6H2.
What are the key properties of 1H-pyrrol-3-ylmethanamine?
1H-pyrrol-3-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-3-ylmethanamine is sourced from PubChem (CID 23295846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).