3-diazenyl-1-prop-2-enylindol-2-ol

C11H11N3O — CID 767127

IUPAC3-diazenyl-1-prop-2-enylindol-2-ol
SMILES[H]/N=N/c1c(O)n(CC=C)c2ccccc12
InChIInChI=1S/C11H11N3O/c1-2-7-14-9-6-4-3-5-8(9)10(13-12)11(14)15/h2-6,12,15H,1,7H2/b13-12+
InChIKeyPHZQZWKIDXHJTP-OUKQBFOZSA-N
MW201.23 g/mol
LogP3.20
Rot. Bonds3

About 3-diazenyl-1-prop-2-enylindol-2-ol

3-diazenyl-1-prop-2-enylindol-2-ol (PubChem CID 767127) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 3-diazenyl-1-prop-2-enylindol-2-ol.

Molecular Properties

Compound Name3-diazenyl-1-prop-2-enylindol-2-ol
PubChem CID767127
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name3-diazenyl-1-prop-2-enylindol-2-ol
SMILES[H]/N=N/c1c(O)n(CC=C)c2ccccc12
InChIInChI=1S/C11H11N3O/c1-2-7-14-9-6-4-3-5-8(9)10(13-12)11(14)15/h2-6,12,15H,1,7H2/b13-12+
InChIKeyPHZQZWKIDXHJTP-OUKQBFOZSA-N
XLogP3.20
TPSA61.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-diazenyl-1-prop-2-enylindol-2-ol?
The IUPAC name of 3-diazenyl-1-prop-2-enylindol-2-ol (CID 767127) is 3-diazenyl-1-prop-2-enylindol-2-ol.
What is the SMILES notation for 3-diazenyl-1-prop-2-enylindol-2-ol?
The canonical SMILES for 3-diazenyl-1-prop-2-enylindol-2-ol is [H]/N=N/c1c(O)n(CC=C)c2ccccc12.
What is the InChIKey of 3-diazenyl-1-prop-2-enylindol-2-ol?
The InChIKey is PHZQZWKIDXHJTP-OUKQBFOZSA-N. The full InChI is InChI=1S/C11H11N3O/c1-2-7-14-9-6-4-3-5-8(9)10(13-12)11(14)15/h2-6,12,15H,1,7H2/b13-12+.
What are the key properties of 3-diazenyl-1-prop-2-enylindol-2-ol?
3-diazenyl-1-prop-2-enylindol-2-ol has a molecular weight of 201.23 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazenyl-1-prop-2-enylindol-2-ol is sourced from PubChem (CID 767127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).