(2E)-7-hydroxy-2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one

C16H13NO2 — CID 15072950

IUPAC(2E)-7-hydroxy-2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one
SMILESO=C1/C(=C/c2ccncc2)CCc2ccc(O)cc21
InChIInChI=1S/C16H13NO2/c18-14-4-3-12-1-2-13(16(19)15(12)10-14)9-11-5-7-17-8-6-11/h3-10,18H,1-2H2/b13-9+
InChIKeyAAARKAYZOWLPBX-UKTHLTGXSA-N
MW251.29 g/mol
LogP3.00
Rot. Bonds1

About (2E)-7-hydroxy-2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one

(2E)-7-hydroxy-2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one (PubChem CID 15072950) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is (2E)-7-hydroxy-2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2E)-7-hydroxy-2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one
PubChem CID15072950
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name(2E)-7-hydroxy-2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one
SMILESO=C1/C(=C/c2ccncc2)CCc2ccc(O)cc21
InChIInChI=1S/C16H13NO2/c18-14-4-3-12-1-2-13(16(19)15(12)10-14)9-11-5-7-17-8-6-11/h3-10,18H,1-2H2/b13-9+
InChIKeyAAARKAYZOWLPBX-UKTHLTGXSA-N
XLogP3.00
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.00
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)-7-hydroxy-2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2E)-7-hydroxy-2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one (CID 15072950) is (2E)-7-hydroxy-2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2E)-7-hydroxy-2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2E)-7-hydroxy-2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one is O=C1/C(=C/c2ccncc2)CCc2ccc(O)cc21.
What is the InChIKey of (2E)-7-hydroxy-2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one?
The InChIKey is AAARKAYZOWLPBX-UKTHLTGXSA-N. The full InChI is InChI=1S/C16H13NO2/c18-14-4-3-12-1-2-13(16(19)15(12)10-14)9-11-5-7-17-8-6-11/h3-10,18H,1-2H2/b13-9+.
What are the key properties of (2E)-7-hydroxy-2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one?
(2E)-7-hydroxy-2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one has a molecular weight of 251.29 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-7-hydroxy-2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 15072950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).