3H-pyrrol-4-ylmethanamine

C5H8N2 — CID 125305322

IUPAC3H-pyrrol-4-ylmethanamine
SMILESNCC1=CN=CC1
InChIInChI=1S/C5H8N2/c6-3-5-1-2-7-4-5/h2,4H,1,3,6H2
InChIKeyNLZCGVRTYKAOBZ-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.30
Rot. Bonds1

About 3H-pyrrol-4-ylmethanamine

3H-pyrrol-4-ylmethanamine (PubChem CID 125305322) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 3H-pyrrol-4-ylmethanamine.

Molecular Properties

Compound Name3H-pyrrol-4-ylmethanamine
PubChem CID125305322
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name3H-pyrrol-4-ylmethanamine
SMILESNCC1=CN=CC1
InChIInChI=1S/C5H8N2/c6-3-5-1-2-7-4-5/h2,4H,1,3,6H2
InChIKeyNLZCGVRTYKAOBZ-UHFFFAOYSA-N
XLogP0.30
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3H-pyrrol-4-ylmethanamine?
The IUPAC name of 3H-pyrrol-4-ylmethanamine (CID 125305322) is 3H-pyrrol-4-ylmethanamine.
What is the SMILES notation for 3H-pyrrol-4-ylmethanamine?
The canonical SMILES for 3H-pyrrol-4-ylmethanamine is NCC1=CN=CC1.
What is the InChIKey of 3H-pyrrol-4-ylmethanamine?
The InChIKey is NLZCGVRTYKAOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c6-3-5-1-2-7-4-5/h2,4H,1,3,6H2.
What are the key properties of 3H-pyrrol-4-ylmethanamine?
3H-pyrrol-4-ylmethanamine has a molecular weight of 96.13 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyrrol-4-ylmethanamine is sourced from PubChem (CID 125305322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).