3-phenyldiazenyl-1-prop-2-enylindol-2-ol

C17H15N3O — CID 3101769

IUPAC3-phenyldiazenyl-1-prop-2-enylindol-2-ol
SMILESC=CCn1c(O)c(/N=N/c2ccccc2)c2ccccc21
InChIInChI=1S/C17H15N3O/c1-2-12-20-15-11-7-6-10-14(15)16(17(20)21)19-18-13-8-4-3-5-9-13/h2-11,21H,1,12H2/b19-18+
InChIKeyWFODQKUQGRSXMX-VHEBQXMUSA-N
MW277.33 g/mol
LogP4.95
Rot. Bonds4

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

3-phenyldiazenyl-1-prop-2-enylindol-2-ol (PubChem CID 3101769) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-phenyldiazenyl-1-prop-2-enylindol-2-ol.

Molecular Properties

Compound Name3-phenyldiazenyl-1-prop-2-enylindol-2-ol
PubChem CID3101769
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name3-phenyldiazenyl-1-prop-2-enylindol-2-ol
SMILESC=CCn1c(O)c(/N=N/c2ccccc2)c2ccccc21
InChIInChI=1S/C17H15N3O/c1-2-12-20-15-11-7-6-10-14(15)16(17(20)21)19-18-13-8-4-3-5-9-13/h2-11,21H,1,12H2/b19-18+
InChIKeyWFODQKUQGRSXMX-VHEBQXMUSA-N
XLogP4.95
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 54.95
H-Bond Donors ≤ 51
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-phenyldiazenyl-1-prop-2-enylindol-2-ol?
The IUPAC name of 3-phenyldiazenyl-1-prop-2-enylindol-2-ol (CID 3101769) is 3-phenyldiazenyl-1-prop-2-enylindol-2-ol.
What is the SMILES notation for 3-phenyldiazenyl-1-prop-2-enylindol-2-ol?
The canonical SMILES for 3-phenyldiazenyl-1-prop-2-enylindol-2-ol is C=CCn1c(O)c(/N=N/c2ccccc2)c2ccccc21.
What is the InChIKey of 3-phenyldiazenyl-1-prop-2-enylindol-2-ol?
The InChIKey is WFODQKUQGRSXMX-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H15N3O/c1-2-12-20-15-11-7-6-10-14(15)16(17(20)21)19-18-13-8-4-3-5-9-13/h2-11,21H,1,12H2/b19-18+.
What are the key properties of 3-phenyldiazenyl-1-prop-2-enylindol-2-ol?
3-phenyldiazenyl-1-prop-2-enylindol-2-ol has a molecular weight of 277.33 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyldiazenyl-1-prop-2-enylindol-2-ol is sourced from PubChem (CID 3101769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).