2-(naphthalen-1-ylmethylidene)indene-1,3-dione

C20H12O2 — CID 625072

IUPAC2-(naphthalen-1-ylmethylidene)indene-1,3-dione
SMILESO=C1C(=Cc2cccc3ccccc23)C(=O)c2ccccc21
InChIInChI=1S/C20H12O2/c21-19-16-10-3-4-11-17(16)20(22)18(19)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-12H
InChIKeyRKTHUQXKUDGALL-UHFFFAOYSA-N
MW284.31 g/mol
LogP4.30
Rot. Bonds1

About 2-(naphthalen-1-ylmethylidene)indene-1,3-dione

2-(naphthalen-1-ylmethylidene)indene-1,3-dione (PubChem CID 625072) has the molecular formula C20H12O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethylidene)indene-1,3-dione.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethylidene)indene-1,3-dione
PubChem CID625072
Molecular FormulaC20H12O2
Molecular Weight284.31 g/mol
Exact Mass284.08
IUPAC Name2-(naphthalen-1-ylmethylidene)indene-1,3-dione
SMILESO=C1C(=Cc2cccc3ccccc23)C(=O)c2ccccc21
InChIInChI=1S/C20H12O2/c21-19-16-10-3-4-11-17(16)20(22)18(19)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-12H
InChIKeyRKTHUQXKUDGALL-UHFFFAOYSA-N
XLogP4.30
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethylidene)indene-1,3-dione?
The IUPAC name of 2-(naphthalen-1-ylmethylidene)indene-1,3-dione (CID 625072) is 2-(naphthalen-1-ylmethylidene)indene-1,3-dione.
What is the SMILES notation for 2-(naphthalen-1-ylmethylidene)indene-1,3-dione?
The canonical SMILES for 2-(naphthalen-1-ylmethylidene)indene-1,3-dione is O=C1C(=Cc2cccc3ccccc23)C(=O)c2ccccc21.
What is the InChIKey of 2-(naphthalen-1-ylmethylidene)indene-1,3-dione?
The InChIKey is RKTHUQXKUDGALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12O2/c21-19-16-10-3-4-11-17(16)20(22)18(19)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-12H.
What are the key properties of 2-(naphthalen-1-ylmethylidene)indene-1,3-dione?
2-(naphthalen-1-ylmethylidene)indene-1,3-dione has a molecular weight of 284.31 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethylidene)indene-1,3-dione is sourced from PubChem (CID 625072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).