2-cyclopenta-2,4-dien-1-ylideneindene-1,3-dione

C14H8O2 — CID 126552144

IUPAC2-cyclopenta-2,4-dien-1-ylideneindene-1,3-dione
SMILESO=C1C(=C2C=CC=C2)C(=O)c2ccccc21
InChIInChI=1S/C14H8O2/c15-13-10-7-3-4-8-11(10)14(16)12(13)9-5-1-2-6-9/h1-8H
InChIKeyRUNLTVZFHBMKCO-UHFFFAOYSA-N
MW208.22 g/mol
LogP2.49
Rot. Bonds

About 2-cyclopenta-2,4-dien-1-ylideneindene-1,3-dione

2-cyclopenta-2,4-dien-1-ylideneindene-1,3-dione (PubChem CID 126552144) has the molecular formula C14H8O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-cyclopenta-2,4-dien-1-ylideneindene-1,3-dione.

Molecular Properties

Compound Name2-cyclopenta-2,4-dien-1-ylideneindene-1,3-dione
PubChem CID126552144
Molecular FormulaC14H8O2
Molecular Weight208.22 g/mol
Exact Mass208.05
IUPAC Name2-cyclopenta-2,4-dien-1-ylideneindene-1,3-dione
SMILESO=C1C(=C2C=CC=C2)C(=O)c2ccccc21
InChIInChI=1S/C14H8O2/c15-13-10-7-3-4-8-11(10)14(16)12(13)9-5-1-2-6-9/h1-8H
InChIKeyRUNLTVZFHBMKCO-UHFFFAOYSA-N
XLogP2.49
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 52.49
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-cyclopenta-2,4-dien-1-ylideneindene-1,3-dione?
The IUPAC name of 2-cyclopenta-2,4-dien-1-ylideneindene-1,3-dione (CID 126552144) is 2-cyclopenta-2,4-dien-1-ylideneindene-1,3-dione.
What is the SMILES notation for 2-cyclopenta-2,4-dien-1-ylideneindene-1,3-dione?
The canonical SMILES for 2-cyclopenta-2,4-dien-1-ylideneindene-1,3-dione is O=C1C(=C2C=CC=C2)C(=O)c2ccccc21.
What is the InChIKey of 2-cyclopenta-2,4-dien-1-ylideneindene-1,3-dione?
The InChIKey is RUNLTVZFHBMKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O2/c15-13-10-7-3-4-8-11(10)14(16)12(13)9-5-1-2-6-9/h1-8H.
What are the key properties of 2-cyclopenta-2,4-dien-1-ylideneindene-1,3-dione?
2-cyclopenta-2,4-dien-1-ylideneindene-1,3-dione has a molecular weight of 208.22 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-2,4-dien-1-ylideneindene-1,3-dione is sourced from PubChem (CID 126552144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).