2-[4-[(2E)-2-indol-3-ylideneethylidene]-1-pyridinyl]ethanol

C17H16N2O — CID 129348236

IUPAC2-[4-[(2E)-2-indol-3-ylideneethylidene]-1-pyridinyl]ethanol
SMILESOCCN1C=CC(=C/C=C2/C=Nc3ccccc32)C=C1
InChIInChI=1S/C17H16N2O/c20-12-11-19-9-7-14(8-10-19)5-6-15-13-18-17-4-2-1-3-16(15)17/h1-10,13,20H,11-12H2/b15-6-
InChIKeyXDJPKYJEMFSTSV-UUASQNMZSA-N
MW264.33 g/mol
LogP3.05
Rot. Bonds3

About 2-[4-[(2E)-2-indol-3-ylideneethylidene]-1-pyridinyl]ethanol

2-[4-[(2E)-2-indol-3-ylideneethylidene]-1-pyridinyl]ethanol (PubChem CID 129348236) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[4-[(2E)-2-indol-3-ylideneethylidene]-1-pyridinyl]ethanol.

Molecular Properties

Compound Name2-[4-[(2E)-2-indol-3-ylideneethylidene]-1-pyridinyl]ethanol
PubChem CID129348236
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name2-[4-[(2E)-2-indol-3-ylideneethylidene]-1-pyridinyl]ethanol
SMILESOCCN1C=CC(=C/C=C2/C=Nc3ccccc32)C=C1
InChIInChI=1S/C17H16N2O/c20-12-11-19-9-7-14(8-10-19)5-6-15-13-18-17-4-2-1-3-16(15)17/h1-10,13,20H,11-12H2/b15-6-
InChIKeyXDJPKYJEMFSTSV-UUASQNMZSA-N
XLogP3.05
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2Z)-2-[(2Z)-2-indol-3-ylideneethylidene]-1-methylquinoline;hydroiodide
CID 171377083
(3Z)-3-[(E)-3-phenylprop-2-enylidene]indole
CID 6158640
(2Z)-2-indol-3-ylideneacetate
CID 154586201
(3Z)-3-(2-phenylethylidene)indole
CID 135017063
4-hydroxy-5-(indol-3-ylidenemethyl)-3-prop-2-enyl-1H-imidazol-2-one
CID 137035511
CID 171374849
CID 171374849
N-hydroxy-4-[[1-(2-hydroxyethyl)-4-pyridinylidene]methyl]benzeneamine oxide
CID 21140947
5-(indol-3-ylidenemethyl)-2,3-dimethylimidazol-4-ol
CID 136691181
4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-2-one
CID 170996879
1-ethyl-5-hydroxy-4-[(E)-indol-3-ylidenemethyl]-3-methylimidazole-2-thione
CID 135494648
2-ethylimino-5-(indol-3-ylidenemethyl)-1,3-dimethylimidazol-4-ol
CID 136756556
5-(indol-3-ylidenemethyl)-3-methyl-2-phenylimino-1,3-thiazol-4-ol
CID 1229080

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2E)-2-indol-3-ylideneethylidene]-1-pyridinyl]ethanol?
The IUPAC name of 2-[4-[(2E)-2-indol-3-ylideneethylidene]-1-pyridinyl]ethanol (CID 129348236) is 2-[4-[(2E)-2-indol-3-ylideneethylidene]-1-pyridinyl]ethanol.
What is the SMILES notation for 2-[4-[(2E)-2-indol-3-ylideneethylidene]-1-pyridinyl]ethanol?
The canonical SMILES for 2-[4-[(2E)-2-indol-3-ylideneethylidene]-1-pyridinyl]ethanol is OCCN1C=CC(=C/C=C2/C=Nc3ccccc32)C=C1.
What is the InChIKey of 2-[4-[(2E)-2-indol-3-ylideneethylidene]-1-pyridinyl]ethanol?
The InChIKey is XDJPKYJEMFSTSV-UUASQNMZSA-N. The full InChI is InChI=1S/C17H16N2O/c20-12-11-19-9-7-14(8-10-19)5-6-15-13-18-17-4-2-1-3-16(15)17/h1-10,13,20H,11-12H2/b15-6-.
What are the key properties of 2-[4-[(2E)-2-indol-3-ylideneethylidene]-1-pyridinyl]ethanol?
2-[4-[(2E)-2-indol-3-ylideneethylidene]-1-pyridinyl]ethanol has a molecular weight of 264.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2E)-2-indol-3-ylideneethylidene]-1-pyridinyl]ethanol is sourced from PubChem (CID 129348236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).