1-ethoxypyrrole-2,3-diamine

C6H11N3O — CID 55284781

IUPAC1-ethoxypyrrole-2,3-diamine
SMILESCCOn1ccc(N)c1N
InChIInChI=1S/C6H11N3O/c1-2-10-9-4-3-5(7)6(9)8/h3-4H,2,7-8H2,1H3
InChIKeyMDWRNFGBHOWIEJ-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.10
Rot. Bonds2

About 1-ethoxypyrrole-2,3-diamine

1-ethoxypyrrole-2,3-diamine (PubChem CID 55284781) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-ethoxypyrrole-2,3-diamine.

Molecular Properties

Compound Name1-ethoxypyrrole-2,3-diamine
PubChem CID55284781
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name1-ethoxypyrrole-2,3-diamine
SMILESCCOn1ccc(N)c1N
InChIInChI=1S/C6H11N3O/c1-2-10-9-4-3-5(7)6(9)8/h3-4H,2,7-8H2,1H3
InChIKeyMDWRNFGBHOWIEJ-UHFFFAOYSA-N
XLogP0.10
TPSA66.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxypyrrole-2,3-diamine?
The IUPAC name of 1-ethoxypyrrole-2,3-diamine (CID 55284781) is 1-ethoxypyrrole-2,3-diamine.
What is the SMILES notation for 1-ethoxypyrrole-2,3-diamine?
The canonical SMILES for 1-ethoxypyrrole-2,3-diamine is CCOn1ccc(N)c1N.
What is the InChIKey of 1-ethoxypyrrole-2,3-diamine?
The InChIKey is MDWRNFGBHOWIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-2-10-9-4-3-5(7)6(9)8/h3-4H,2,7-8H2,1H3.
What are the key properties of 1-ethoxypyrrole-2,3-diamine?
1-ethoxypyrrole-2,3-diamine has a molecular weight of 141.17 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypyrrole-2,3-diamine is sourced from PubChem (CID 55284781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).