(2Z)-6-methoxy-2-(1-pyridin-4-ylethylidene)-3H-inden-1-one

C17H15NO2 — CID 643858

IUPAC(2Z)-6-methoxy-2-(1-pyridin-4-ylethylidene)-3H-inden-1-one
SMILESCOc1ccc2c(c1)C(=O)/C(=C(/C)c1ccncc1)C2
InChIInChI=1S/C17H15NO2/c1-11(12-5-7-18-8-6-12)15-9-13-3-4-14(20-2)10-16(13)17(15)19/h3-8,10H,9H2,1-2H3/b15-11-
InChIKeyWVRXBJAJYNPIJU-PTNGSMBKSA-N
MW265.31 g/mol
LogP3.30
Rot. Bonds2

About (2Z)-6-methoxy-2-(1-pyridin-4-ylethylidene)-3H-inden-1-one

(2Z)-6-methoxy-2-(1-pyridin-4-ylethylidene)-3H-inden-1-one (PubChem CID 643858) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2Z)-6-methoxy-2-(1-pyridin-4-ylethylidene)-3H-inden-1-one.

Molecular Properties

Compound Name(2Z)-6-methoxy-2-(1-pyridin-4-ylethylidene)-3H-inden-1-one
PubChem CID643858
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name(2Z)-6-methoxy-2-(1-pyridin-4-ylethylidene)-3H-inden-1-one
SMILESCOc1ccc2c(c1)C(=O)/C(=C(/C)c1ccncc1)C2
InChIInChI=1S/C17H15NO2/c1-11(12-5-7-18-8-6-12)15-9-13-3-4-14(20-2)10-16(13)17(15)19/h3-8,10H,9H2,1-2H3/b15-11-
InChIKeyWVRXBJAJYNPIJU-PTNGSMBKSA-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 (2Z)-6-methoxy-2-(1-pyridin-4-ylethylidene)-3H-inden-1-one?
The IUPAC name of (2Z)-6-methoxy-2-(1-pyridin-4-ylethylidene)-3H-inden-1-one (CID 643858) is (2Z)-6-methoxy-2-(1-pyridin-4-ylethylidene)-3H-inden-1-one.
What is the SMILES notation for (2Z)-6-methoxy-2-(1-pyridin-4-ylethylidene)-3H-inden-1-one?
The canonical SMILES for (2Z)-6-methoxy-2-(1-pyridin-4-ylethylidene)-3H-inden-1-one is COc1ccc2c(c1)C(=O)/C(=C(/C)c1ccncc1)C2.
What is the InChIKey of (2Z)-6-methoxy-2-(1-pyridin-4-ylethylidene)-3H-inden-1-one?
The InChIKey is WVRXBJAJYNPIJU-PTNGSMBKSA-N. The full InChI is InChI=1S/C17H15NO2/c1-11(12-5-7-18-8-6-12)15-9-13-3-4-14(20-2)10-16(13)17(15)19/h3-8,10H,9H2,1-2H3/b15-11-.
What are the key properties of (2Z)-6-methoxy-2-(1-pyridin-4-ylethylidene)-3H-inden-1-one?
(2Z)-6-methoxy-2-(1-pyridin-4-ylethylidene)-3H-inden-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 (2Z)-6-methoxy-2-(1-pyridin-4-ylethylidene)-3H-inden-1-one is sourced from PubChem (CID 643858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).