2-amino-4-hydroxy-1-methylpyrrole-3-carbonitrile

C6H7N3O — CID 54005052

IUPAC2-amino-4-hydroxy-1-methylpyrrole-3-carbonitrile
SMILESCn1cc(O)c(C#N)c1N
InChIInChI=1S/C6H7N3O/c1-9-3-5(10)4(2-7)6(9)8/h3,10H,8H2,1H3
InChIKeyKOGUZVSSBLHGRQ-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.18
Rot. Bonds

About 2-amino-4-hydroxy-1-methylpyrrole-3-carbonitrile

2-amino-4-hydroxy-1-methylpyrrole-3-carbonitrile (PubChem CID 54005052) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is 2-amino-4-hydroxy-1-methylpyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-hydroxy-1-methylpyrrole-3-carbonitrile
PubChem CID54005052
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Name2-amino-4-hydroxy-1-methylpyrrole-3-carbonitrile
SMILESCn1cc(O)c(C#N)c1N
InChIInChI=1S/C6H7N3O/c1-9-3-5(10)4(2-7)6(9)8/h3,10H,8H2,1H3
InChIKeyKOGUZVSSBLHGRQ-UHFFFAOYSA-N
XLogP0.18
TPSA74.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-hydroxy-1-methylpyrrole-3-carbonitrile?
The IUPAC name of 2-amino-4-hydroxy-1-methylpyrrole-3-carbonitrile (CID 54005052) is 2-amino-4-hydroxy-1-methylpyrrole-3-carbonitrile.
What is the SMILES notation for 2-amino-4-hydroxy-1-methylpyrrole-3-carbonitrile?
The canonical SMILES for 2-amino-4-hydroxy-1-methylpyrrole-3-carbonitrile is Cn1cc(O)c(C#N)c1N.
What is the InChIKey of 2-amino-4-hydroxy-1-methylpyrrole-3-carbonitrile?
The InChIKey is KOGUZVSSBLHGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O/c1-9-3-5(10)4(2-7)6(9)8/h3,10H,8H2,1H3.
What are the key properties of 2-amino-4-hydroxy-1-methylpyrrole-3-carbonitrile?
2-amino-4-hydroxy-1-methylpyrrole-3-carbonitrile has a molecular weight of 137.14 g/mol, XLogP of 0.18, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-hydroxy-1-methylpyrrole-3-carbonitrile is sourced from PubChem (CID 54005052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).