5-amino-1H-pyrrol-2-ol

C4H6N2O — CID 69341308

IUPAC5-amino-1H-pyrrol-2-ol
SMILESNc1ccc(O)[nH]1
InChIInChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2
InChIKeyBRRHKWACTWKMHW-UHFFFAOYSA-N
MW98.10 g/mol
LogP0.30
Rot. Bonds

About 5-amino-1H-pyrrol-2-ol

5-amino-1H-pyrrol-2-ol (PubChem CID 69341308) has the molecular formula C4H6N2O and a molecular weight of 98.10 g/mol. Its IUPAC name is 5-amino-1H-pyrrol-2-ol.

Molecular Properties

Compound Name5-amino-1H-pyrrol-2-ol
PubChem CID69341308
Molecular FormulaC4H6N2O
Molecular Weight98.10 g/mol
Exact Mass98.05
IUPAC Name5-amino-1H-pyrrol-2-ol
SMILESNc1ccc(O)[nH]1
InChIInChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2
InChIKeyBRRHKWACTWKMHW-UHFFFAOYSA-N
XLogP0.30
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1H-pyrrol-2-ol?
The IUPAC name of 5-amino-1H-pyrrol-2-ol (CID 69341308) is 5-amino-1H-pyrrol-2-ol.
What is the SMILES notation for 5-amino-1H-pyrrol-2-ol?
The canonical SMILES for 5-amino-1H-pyrrol-2-ol is Nc1ccc(O)[nH]1.
What is the InChIKey of 5-amino-1H-pyrrol-2-ol?
The InChIKey is BRRHKWACTWKMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2.
What are the key properties of 5-amino-1H-pyrrol-2-ol?
5-amino-1H-pyrrol-2-ol has a molecular weight of 98.10 g/mol, XLogP of 0.30, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1H-pyrrol-2-ol is sourced from PubChem (CID 69341308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).