3-[(2-methylphenyl)diazenyl]-1-prop-2-enylindol-2-ol

C18H17N3O — CID 3101771

IUPAC3-[(2-methylphenyl)diazenyl]-1-prop-2-enylindol-2-ol
SMILESC=CCn1c(O)c(/N=N/c2ccccc2C)c2ccccc21
InChIInChI=1S/C18H17N3O/c1-3-12-21-16-11-7-5-9-14(16)17(18(21)22)20-19-15-10-6-4-8-13(15)2/h3-11,22H,1,12H2,2H3/b20-19+
InChIKeyOAIQLKJGMQPVGH-FMQUCBEESA-N
MW291.35 g/mol
LogP5.26
Rot. Bonds4

About 3-[(2-methylphenyl)diazenyl]-1-prop-2-enylindol-2-ol

3-[(2-methylphenyl)diazenyl]-1-prop-2-enylindol-2-ol (PubChem CID 3101771) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[(2-methylphenyl)diazenyl]-1-prop-2-enylindol-2-ol.

Molecular Properties

Compound Name3-[(2-methylphenyl)diazenyl]-1-prop-2-enylindol-2-ol
PubChem CID3101771
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name3-[(2-methylphenyl)diazenyl]-1-prop-2-enylindol-2-ol
SMILESC=CCn1c(O)c(/N=N/c2ccccc2C)c2ccccc21
InChIInChI=1S/C18H17N3O/c1-3-12-21-16-11-7-5-9-14(16)17(18(21)22)20-19-15-10-6-4-8-13(15)2/h3-11,22H,1,12H2,2H3/b20-19+
InChIKeyOAIQLKJGMQPVGH-FMQUCBEESA-N
XLogP5.26
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.35
LogP ≤ 55.26
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-[(2-methylphenyl)diazenyl]-1-prop-2-enylindol-2-ol?
The IUPAC name of 3-[(2-methylphenyl)diazenyl]-1-prop-2-enylindol-2-ol (CID 3101771) is 3-[(2-methylphenyl)diazenyl]-1-prop-2-enylindol-2-ol.
What is the SMILES notation for 3-[(2-methylphenyl)diazenyl]-1-prop-2-enylindol-2-ol?
The canonical SMILES for 3-[(2-methylphenyl)diazenyl]-1-prop-2-enylindol-2-ol is C=CCn1c(O)c(/N=N/c2ccccc2C)c2ccccc21.
What is the InChIKey of 3-[(2-methylphenyl)diazenyl]-1-prop-2-enylindol-2-ol?
The InChIKey is OAIQLKJGMQPVGH-FMQUCBEESA-N. The full InChI is InChI=1S/C18H17N3O/c1-3-12-21-16-11-7-5-9-14(16)17(18(21)22)20-19-15-10-6-4-8-13(15)2/h3-11,22H,1,12H2,2H3/b20-19+.
What are the key properties of 3-[(2-methylphenyl)diazenyl]-1-prop-2-enylindol-2-ol?
3-[(2-methylphenyl)diazenyl]-1-prop-2-enylindol-2-ol has a molecular weight of 291.35 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)diazenyl]-1-prop-2-enylindol-2-ol is sourced from PubChem (CID 3101771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).