(2-ethoxyphenyl)-(1H-pyrrol-2-yl)diazene

C12H13N3O — CID 137178674

IUPAC(2-ethoxyphenyl)-(1H-pyrrol-2-yl)diazene
SMILESCCOc1ccccc1/N=N/c1ccc[nH]1
InChIInChI=1S/C12H13N3O/c1-2-16-11-7-4-3-6-10(11)14-15-12-8-5-9-13-12/h3-9,13H,2H2,1H3/b15-14+
InChIKeyLWYZDEXRFNGVIU-CCEZHUSRSA-N
MW215.26 g/mol
LogP3.83
Rot. Bonds4

About (2-ethoxyphenyl)-(1H-pyrrol-2-yl)diazene

(2-ethoxyphenyl)-(1H-pyrrol-2-yl)diazene (PubChem CID 137178674) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is (2-ethoxyphenyl)-(1H-pyrrol-2-yl)diazene.

Molecular Properties

Compound Name(2-ethoxyphenyl)-(1H-pyrrol-2-yl)diazene
PubChem CID137178674
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name(2-ethoxyphenyl)-(1H-pyrrol-2-yl)diazene
SMILESCCOc1ccccc1/N=N/c1ccc[nH]1
InChIInChI=1S/C12H13N3O/c1-2-16-11-7-4-3-6-10(11)14-15-12-8-5-9-13-12/h3-9,13H,2H2,1H3/b15-14+
InChIKeyLWYZDEXRFNGVIU-CCEZHUSRSA-N
XLogP3.83
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-(1H-pyrrol-2-yl)diazene?
The IUPAC name of (2-ethoxyphenyl)-(1H-pyrrol-2-yl)diazene (CID 137178674) is (2-ethoxyphenyl)-(1H-pyrrol-2-yl)diazene.
What is the SMILES notation for (2-ethoxyphenyl)-(1H-pyrrol-2-yl)diazene?
The canonical SMILES for (2-ethoxyphenyl)-(1H-pyrrol-2-yl)diazene is CCOc1ccccc1/N=N/c1ccc[nH]1.
What is the InChIKey of (2-ethoxyphenyl)-(1H-pyrrol-2-yl)diazene?
The InChIKey is LWYZDEXRFNGVIU-CCEZHUSRSA-N. The full InChI is InChI=1S/C12H13N3O/c1-2-16-11-7-4-3-6-10(11)14-15-12-8-5-9-13-12/h3-9,13H,2H2,1H3/b15-14+.
What are the key properties of (2-ethoxyphenyl)-(1H-pyrrol-2-yl)diazene?
(2-ethoxyphenyl)-(1H-pyrrol-2-yl)diazene has a molecular weight of 215.26 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-(1H-pyrrol-2-yl)diazene is sourced from PubChem (CID 137178674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).