3-[(3E)-3-methoxyiminoindol-2-yl]-1H-indol-2-ol

C17H13N3O2 — CID 135434955

IUPAC3-[(3E)-3-methoxyiminoindol-2-yl]-1H-indol-2-ol
SMILESCO/N=C1/C(c2c(O)[nH]c3ccccc23)=Nc2ccccc21
InChIInChI=1S/C17H13N3O2/c1-22-20-15-11-7-3-5-9-13(11)18-16(15)14-10-6-2-4-8-12(10)19-17(14)21/h2-9,19,21H,1H3/b20-15+
InChIKeyDLJNVUXERDSYFS-HMMYKYKNSA-N
MW291.31 g/mol
LogP3.36
Rot. Bonds2

About 3-[(3E)-3-methoxyiminoindol-2-yl]-1H-indol-2-ol

3-[(3E)-3-methoxyiminoindol-2-yl]-1H-indol-2-ol (PubChem CID 135434955) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-[(3E)-3-methoxyiminoindol-2-yl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(3E)-3-methoxyiminoindol-2-yl]-1H-indol-2-ol
PubChem CID135434955
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name3-[(3E)-3-methoxyiminoindol-2-yl]-1H-indol-2-ol
SMILESCO/N=C1/C(c2c(O)[nH]c3ccccc23)=Nc2ccccc21
InChIInChI=1S/C17H13N3O2/c1-22-20-15-11-7-3-5-9-13(11)18-16(15)14-10-6-2-4-8-12(10)19-17(14)21/h2-9,19,21H,1H3/b20-15+
InChIKeyDLJNVUXERDSYFS-HMMYKYKNSA-N
XLogP3.36
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_imine_A(9)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3E)-3-methoxyiminoindol-2-yl]-1H-indol-2-ol?
The IUPAC name of 3-[(3E)-3-methoxyiminoindol-2-yl]-1H-indol-2-ol (CID 135434955) is 3-[(3E)-3-methoxyiminoindol-2-yl]-1H-indol-2-ol.
What is the SMILES notation for 3-[(3E)-3-methoxyiminoindol-2-yl]-1H-indol-2-ol?
The canonical SMILES for 3-[(3E)-3-methoxyiminoindol-2-yl]-1H-indol-2-ol is CO/N=C1/C(c2c(O)[nH]c3ccccc23)=Nc2ccccc21.
What is the InChIKey of 3-[(3E)-3-methoxyiminoindol-2-yl]-1H-indol-2-ol?
The InChIKey is DLJNVUXERDSYFS-HMMYKYKNSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-22-20-15-11-7-3-5-9-13(11)18-16(15)14-10-6-2-4-8-12(10)19-17(14)21/h2-9,19,21H,1H3/b20-15+.
What are the key properties of 3-[(3E)-3-methoxyiminoindol-2-yl]-1H-indol-2-ol?
3-[(3E)-3-methoxyiminoindol-2-yl]-1H-indol-2-ol has a molecular weight of 291.31 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3E)-3-methoxyiminoindol-2-yl]-1H-indol-2-ol is sourced from PubChem (CID 135434955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).