(2E)-6-methoxy-2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one

C17H15NO2 — CID 15072947

IUPAC(2E)-6-methoxy-2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one
SMILESCOc1ccc2c(c1)CC/C(=C\c1ccncc1)C2=O
InChIInChI=1S/C17H15NO2/c1-20-15-4-5-16-13(11-15)2-3-14(17(16)19)10-12-6-8-18-9-7-12/h4-11H,2-3H2,1H3/b14-10+
InChIKeyOMJQCRYAFOMMKI-GXDHUFHOSA-N
MW265.31 g/mol
LogP3.30
Rot. Bonds2

About (2E)-6-methoxy-2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one

(2E)-6-methoxy-2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one (PubChem CID 15072947) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2E)-6-methoxy-2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2E)-6-methoxy-2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one
PubChem CID15072947
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name(2E)-6-methoxy-2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one
SMILESCOc1ccc2c(c1)CC/C(=C\c1ccncc1)C2=O
InChIInChI=1S/C17H15NO2/c1-20-15-4-5-16-13(11-15)2-3-14(17(16)19)10-12-6-8-18-9-7-12/h4-11H,2-3H2,1H3/b14-10+
InChIKeyOMJQCRYAFOMMKI-GXDHUFHOSA-N
XLogP3.30
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.30
H-Bond Donors ≤ 50
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)-6-methoxy-2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2E)-6-methoxy-2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one (CID 15072947) is (2E)-6-methoxy-2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2E)-6-methoxy-2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2E)-6-methoxy-2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one is COc1ccc2c(c1)CC/C(=C\c1ccncc1)C2=O.
What is the InChIKey of (2E)-6-methoxy-2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one?
The InChIKey is OMJQCRYAFOMMKI-GXDHUFHOSA-N. The full InChI is InChI=1S/C17H15NO2/c1-20-15-4-5-16-13(11-15)2-3-14(17(16)19)10-12-6-8-18-9-7-12/h4-11H,2-3H2,1H3/b14-10+.
What are the key properties of (2E)-6-methoxy-2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one?
(2E)-6-methoxy-2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one has a molecular weight of 265.31 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-6-methoxy-2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 15072947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).