4-N-ethylfuro[3,2-b]pyrrole-4,6-diamine

C8H11N3O — CID 69462856

IUPAC4-N-ethylfuro[3,2-b]pyrrole-4,6-diamine
SMILESCCNn1cc(N)c2occc21
InChIInChI=1S/C8H11N3O/c1-2-10-11-5-6(9)8-7(11)3-4-12-8/h3-5,10H,2,9H2,1H3
InChIKeyBTTMCKRTZFRCJE-UHFFFAOYSA-N
MW165.20 g/mol
LogP1.38
Rot. Bonds2

About 4-N-ethylfuro[3,2-b]pyrrole-4,6-diamine

4-N-ethylfuro[3,2-b]pyrrole-4,6-diamine (PubChem CID 69462856) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 4-N-ethylfuro[3,2-b]pyrrole-4,6-diamine.

Molecular Properties

Compound Name4-N-ethylfuro[3,2-b]pyrrole-4,6-diamine
PubChem CID69462856
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name4-N-ethylfuro[3,2-b]pyrrole-4,6-diamine
SMILESCCNn1cc(N)c2occc21
InChIInChI=1S/C8H11N3O/c1-2-10-11-5-6(9)8-7(11)3-4-12-8/h3-5,10H,2,9H2,1H3
InChIKeyBTTMCKRTZFRCJE-UHFFFAOYSA-N
XLogP1.38
TPSA56.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethylfuro[3,2-b]pyrrole-4,6-diamine?
The IUPAC name of 4-N-ethylfuro[3,2-b]pyrrole-4,6-diamine (CID 69462856) is 4-N-ethylfuro[3,2-b]pyrrole-4,6-diamine.
What is the SMILES notation for 4-N-ethylfuro[3,2-b]pyrrole-4,6-diamine?
The canonical SMILES for 4-N-ethylfuro[3,2-b]pyrrole-4,6-diamine is CCNn1cc(N)c2occc21.
What is the InChIKey of 4-N-ethylfuro[3,2-b]pyrrole-4,6-diamine?
The InChIKey is BTTMCKRTZFRCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-2-10-11-5-6(9)8-7(11)3-4-12-8/h3-5,10H,2,9H2,1H3.
What are the key properties of 4-N-ethylfuro[3,2-b]pyrrole-4,6-diamine?
4-N-ethylfuro[3,2-b]pyrrole-4,6-diamine has a molecular weight of 165.20 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethylfuro[3,2-b]pyrrole-4,6-diamine is sourced from PubChem (CID 69462856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).