2H-pyrrol-4-ylmethanamine

C5H8N2 — CID 59569436

IUPAC2H-pyrrol-4-ylmethanamine
SMILESNCC1=CCN=C1
InChIInChI=1S/C5H8N2/c6-3-5-1-2-7-4-5/h1,4H,2-3,6H2
InChIKeyOKMCEVMFJMWAKY-UHFFFAOYSA-N
MW96.13 g/mol
LogP-0.04
Rot. Bonds1

About 2H-pyrrol-4-ylmethanamine

2H-pyrrol-4-ylmethanamine (PubChem CID 59569436) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 2H-pyrrol-4-ylmethanamine.

Molecular Properties

Compound Name2H-pyrrol-4-ylmethanamine
PubChem CID59569436
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name2H-pyrrol-4-ylmethanamine
SMILESNCC1=CCN=C1
InChIInChI=1S/C5H8N2/c6-3-5-1-2-7-4-5/h1,4H,2-3,6H2
InChIKeyOKMCEVMFJMWAKY-UHFFFAOYSA-N
XLogP-0.04
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 ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-pyrrol-4-ylmethanamine?
The IUPAC name of 2H-pyrrol-4-ylmethanamine (CID 59569436) is 2H-pyrrol-4-ylmethanamine.
What is the SMILES notation for 2H-pyrrol-4-ylmethanamine?
The canonical SMILES for 2H-pyrrol-4-ylmethanamine is NCC1=CCN=C1.
What is the InChIKey of 2H-pyrrol-4-ylmethanamine?
The InChIKey is OKMCEVMFJMWAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c6-3-5-1-2-7-4-5/h1,4H,2-3,6H2.
What are the key properties of 2H-pyrrol-4-ylmethanamine?
2H-pyrrol-4-ylmethanamine has a molecular weight of 96.13 g/mol, XLogP of -0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrrol-4-ylmethanamine is sourced from PubChem (CID 59569436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).