2-amino-1-methylpyrrol-3-ol

C5H8N2O — CID 69341841

IUPAC2-amino-1-methylpyrrol-3-ol
SMILESCn1ccc(O)c1N
InChIInChI=1S/C5H8N2O/c1-7-3-2-4(8)5(7)6/h2-3,8H,6H2,1H3
InChIKeyKMVNWTIGIGIIHM-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.31
Rot. Bonds

About 2-amino-1-methylpyrrol-3-ol

2-amino-1-methylpyrrol-3-ol (PubChem CID 69341841) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 2-amino-1-methylpyrrol-3-ol.

Molecular Properties

Compound Name2-amino-1-methylpyrrol-3-ol
PubChem CID69341841
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name2-amino-1-methylpyrrol-3-ol
SMILESCn1ccc(O)c1N
InChIInChI=1S/C5H8N2O/c1-7-3-2-4(8)5(7)6/h2-3,8H,6H2,1H3
InChIKeyKMVNWTIGIGIIHM-UHFFFAOYSA-N
XLogP0.31
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
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 ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-methylpyrrol-3-ol?
The IUPAC name of 2-amino-1-methylpyrrol-3-ol (CID 69341841) is 2-amino-1-methylpyrrol-3-ol.
What is the SMILES notation for 2-amino-1-methylpyrrol-3-ol?
The canonical SMILES for 2-amino-1-methylpyrrol-3-ol is Cn1ccc(O)c1N.
What is the InChIKey of 2-amino-1-methylpyrrol-3-ol?
The InChIKey is KMVNWTIGIGIIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-7-3-2-4(8)5(7)6/h2-3,8H,6H2,1H3.
What are the key properties of 2-amino-1-methylpyrrol-3-ol?
2-amino-1-methylpyrrol-3-ol has a molecular weight of 112.13 g/mol, XLogP of 0.31, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methylpyrrol-3-ol is sourced from PubChem (CID 69341841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).