1H-pyrrol-2-yloxymethanamine

C5H8N2O — CID 142780412

IUPAC1H-pyrrol-2-yloxymethanamine
SMILESNCOc1ccc[nH]1
InChIInChI=1S/C5H8N2O/c6-4-8-5-2-1-3-7-5/h1-3,7H,4,6H2
InChIKeyGMUXYCDIRAMABH-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.31
Rot. Bonds2

About 1H-pyrrol-2-yloxymethanamine

1H-pyrrol-2-yloxymethanamine (PubChem CID 142780412) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 1H-pyrrol-2-yloxymethanamine.

Molecular Properties

Compound Name1H-pyrrol-2-yloxymethanamine
PubChem CID142780412
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name1H-pyrrol-2-yloxymethanamine
SMILESNCOc1ccc[nH]1
InChIInChI=1S/C5H8N2O/c6-4-8-5-2-1-3-7-5/h1-3,7H,4,6H2
InChIKeyGMUXYCDIRAMABH-UHFFFAOYSA-N
XLogP0.31
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrol-2-yloxymethanamine?
The IUPAC name of 1H-pyrrol-2-yloxymethanamine (CID 142780412) is 1H-pyrrol-2-yloxymethanamine.
What is the SMILES notation for 1H-pyrrol-2-yloxymethanamine?
The canonical SMILES for 1H-pyrrol-2-yloxymethanamine is NCOc1ccc[nH]1.
What is the InChIKey of 1H-pyrrol-2-yloxymethanamine?
The InChIKey is GMUXYCDIRAMABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c6-4-8-5-2-1-3-7-5/h1-3,7H,4,6H2.
What are the key properties of 1H-pyrrol-2-yloxymethanamine?
1H-pyrrol-2-yloxymethanamine has a molecular weight of 112.13 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrol-2-yloxymethanamine is sourced from PubChem (CID 142780412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).