5-ethenoxy-1H-pyrrol-2-amine

C6H8N2O — CID 89268747

IUPAC5-ethenoxy-1H-pyrrol-2-amine
SMILESC=COc1ccc(N)[nH]1
InChIInChI=1S/C6H8N2O/c1-2-9-6-4-3-5(7)8-6/h2-4,8H,1,7H2
InChIKeyJQVZVUKJJAQPGO-UHFFFAOYSA-N
MW124.14 g/mol
LogP1.12
Rot. Bonds2

About 5-ethenoxy-1H-pyrrol-2-amine

5-ethenoxy-1H-pyrrol-2-amine (PubChem CID 89268747) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 5-ethenoxy-1H-pyrrol-2-amine.

Molecular Properties

Compound Name5-ethenoxy-1H-pyrrol-2-amine
PubChem CID89268747
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name5-ethenoxy-1H-pyrrol-2-amine
SMILESC=COc1ccc(N)[nH]1
InChIInChI=1S/C6H8N2O/c1-2-9-6-4-3-5(7)8-6/h2-4,8H,1,7H2
InChIKeyJQVZVUKJJAQPGO-UHFFFAOYSA-N
XLogP1.12
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

5-(cyclopropylmethoxy)-4-fluoro-1H-pyrrol-2-amine
CID 142399958
2-methoxy-5-nitro-1H-pyrrole
CID 20084732
2,5-dimethoxy-1H-pyrrole
CID 68980244
5-methoxy-1H-pyrrol-2-amine
CID 69341007
5-amino-1H-pyrrol-2-ol
CID 69341308
5-Methoxy-1-methylpyrrol-2-amine
CID 69341825
ethyl (5-nitro-1H-pyrrol-2-yl) carbonate
CID 129158526
2-iodo-5-methoxy-1H-pyrrole
CID 163945709
4-bromo-5-methoxy-1H-pyrrol-2-amine
CID 164524210

Frequently Asked Questions

What is the IUPAC name of 5-ethenoxy-1H-pyrrol-2-amine?
The IUPAC name of 5-ethenoxy-1H-pyrrol-2-amine (CID 89268747) is 5-ethenoxy-1H-pyrrol-2-amine.
What is the SMILES notation for 5-ethenoxy-1H-pyrrol-2-amine?
The canonical SMILES for 5-ethenoxy-1H-pyrrol-2-amine is C=COc1ccc(N)[nH]1.
What is the InChIKey of 5-ethenoxy-1H-pyrrol-2-amine?
The InChIKey is JQVZVUKJJAQPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-2-9-6-4-3-5(7)8-6/h2-4,8H,1,7H2.
What are the key properties of 5-ethenoxy-1H-pyrrol-2-amine?
5-ethenoxy-1H-pyrrol-2-amine has a molecular weight of 124.14 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenoxy-1H-pyrrol-2-amine is sourced from PubChem (CID 89268747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).