5-methoxy-1H-pyrrol-2-amine

C5H8N2O — CID 69341007

IUPAC5-methoxy-1H-pyrrol-2-amine
SMILESCOc1ccc(N)[nH]1
InChIInChI=1S/C5H8N2O/c1-8-5-3-2-4(6)7-5/h2-3,7H,6H2,1H3
InChIKeyJPIPVECOSQIUJQ-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.61
Rot. Bonds1

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

5-methoxy-1H-pyrrol-2-amine (PubChem CID 69341007) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 5-methoxy-1H-pyrrol-2-amine.

Molecular Properties

Compound Name5-methoxy-1H-pyrrol-2-amine
PubChem CID69341007
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name5-methoxy-1H-pyrrol-2-amine
SMILESCOc1ccc(N)[nH]1
InChIInChI=1S/C5H8N2O/c1-8-5-3-2-4(6)7-5/h2-3,7H,6H2,1H3
InChIKeyJPIPVECOSQIUJQ-UHFFFAOYSA-N
XLogP0.61
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1H-pyrrol-2-amine?
The IUPAC name of 5-methoxy-1H-pyrrol-2-amine (CID 69341007) is 5-methoxy-1H-pyrrol-2-amine.
What is the SMILES notation for 5-methoxy-1H-pyrrol-2-amine?
The canonical SMILES for 5-methoxy-1H-pyrrol-2-amine is COc1ccc(N)[nH]1.
What is the InChIKey of 5-methoxy-1H-pyrrol-2-amine?
The InChIKey is JPIPVECOSQIUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-8-5-3-2-4(6)7-5/h2-3,7H,6H2,1H3.
What are the key properties of 5-methoxy-1H-pyrrol-2-amine?
5-methoxy-1H-pyrrol-2-amine has a molecular weight of 112.13 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1H-pyrrol-2-amine is sourced from PubChem (CID 69341007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).