3-amino-1-ethylpyrrole-2,5-diol

C6H10N2O2 — CID 91025950

IUPAC3-amino-1-ethylpyrrole-2,5-diol
SMILESCCn1c(O)cc(N)c1O
InChIInChI=1S/C6H10N2O2/c1-2-8-5(9)3-4(7)6(8)10/h3,9-10H,2,7H2,1H3
InChIKeyLVLOPUNRQHZCCP-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.50
Rot. Bonds1

About 3-amino-1-ethylpyrrole-2,5-diol

3-amino-1-ethylpyrrole-2,5-diol (PubChem CID 91025950) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 3-amino-1-ethylpyrrole-2,5-diol.

Molecular Properties

Compound Name3-amino-1-ethylpyrrole-2,5-diol
PubChem CID91025950
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name3-amino-1-ethylpyrrole-2,5-diol
SMILESCCn1c(O)cc(N)c1O
InChIInChI=1S/C6H10N2O2/c1-2-8-5(9)3-4(7)6(8)10/h3,9-10H,2,7H2,1H3
InChIKeyLVLOPUNRQHZCCP-UHFFFAOYSA-N
XLogP0.50
TPSA71.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethylpyrrole-2,5-diol?
The IUPAC name of 3-amino-1-ethylpyrrole-2,5-diol (CID 91025950) is 3-amino-1-ethylpyrrole-2,5-diol.
What is the SMILES notation for 3-amino-1-ethylpyrrole-2,5-diol?
The canonical SMILES for 3-amino-1-ethylpyrrole-2,5-diol is CCn1c(O)cc(N)c1O.
What is the InChIKey of 3-amino-1-ethylpyrrole-2,5-diol?
The InChIKey is LVLOPUNRQHZCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-2-8-5(9)3-4(7)6(8)10/h3,9-10H,2,7H2,1H3.
What are the key properties of 3-amino-1-ethylpyrrole-2,5-diol?
3-amino-1-ethylpyrrole-2,5-diol has a molecular weight of 142.16 g/mol, XLogP of 0.50, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethylpyrrole-2,5-diol is sourced from PubChem (CID 91025950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).