(2E)-5-hydroxy-2-(pyridin-4-ylmethylidene)-3H-inden-1-one

C15H11NO2 — CID 10105573

IUPAC(2E)-5-hydroxy-2-(pyridin-4-ylmethylidene)-3H-inden-1-one
SMILESO=C1/C(=C/c2ccncc2)Cc2cc(O)ccc21
InChIInChI=1S/C15H11NO2/c17-13-1-2-14-11(9-13)8-12(15(14)18)7-10-3-5-16-6-4-10/h1-7,9,17H,8H2/b12-7+
InChIKeyBNEKOIAODQYJNM-KPKJPENVSA-N
MW237.26 g/mol
LogP2.61
Rot. Bonds1

About (2E)-5-hydroxy-2-(pyridin-4-ylmethylidene)-3H-inden-1-one

(2E)-5-hydroxy-2-(pyridin-4-ylmethylidene)-3H-inden-1-one (PubChem CID 10105573) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is (2E)-5-hydroxy-2-(pyridin-4-ylmethylidene)-3H-inden-1-one.

Molecular Properties

Compound Name(2E)-5-hydroxy-2-(pyridin-4-ylmethylidene)-3H-inden-1-one
PubChem CID10105573
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name(2E)-5-hydroxy-2-(pyridin-4-ylmethylidene)-3H-inden-1-one
SMILESO=C1/C(=C/c2ccncc2)Cc2cc(O)ccc21
InChIInChI=1S/C15H11NO2/c17-13-1-2-14-11(9-13)8-12(15(14)18)7-10-3-5-16-6-4-10/h1-7,9,17H,8H2/b12-7+
InChIKeyBNEKOIAODQYJNM-KPKJPENVSA-N
XLogP2.61
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-5-hydroxy-2-(pyridin-4-ylmethylidene)-3H-inden-1-one?
The IUPAC name of (2E)-5-hydroxy-2-(pyridin-4-ylmethylidene)-3H-inden-1-one (CID 10105573) is (2E)-5-hydroxy-2-(pyridin-4-ylmethylidene)-3H-inden-1-one.
What is the SMILES notation for (2E)-5-hydroxy-2-(pyridin-4-ylmethylidene)-3H-inden-1-one?
The canonical SMILES for (2E)-5-hydroxy-2-(pyridin-4-ylmethylidene)-3H-inden-1-one is O=C1/C(=C/c2ccncc2)Cc2cc(O)ccc21.
What is the InChIKey of (2E)-5-hydroxy-2-(pyridin-4-ylmethylidene)-3H-inden-1-one?
The InChIKey is BNEKOIAODQYJNM-KPKJPENVSA-N. The full InChI is InChI=1S/C15H11NO2/c17-13-1-2-14-11(9-13)8-12(15(14)18)7-10-3-5-16-6-4-10/h1-7,9,17H,8H2/b12-7+.
What are the key properties of (2E)-5-hydroxy-2-(pyridin-4-ylmethylidene)-3H-inden-1-one?
(2E)-5-hydroxy-2-(pyridin-4-ylmethylidene)-3H-inden-1-one has a molecular weight of 237.26 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-hydroxy-2-(pyridin-4-ylmethylidene)-3H-inden-1-one is sourced from PubChem (CID 10105573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).