8H-cyclohepta[b]naphthalene-5,11-dione

C15H10O2 — CID 142997660

IUPAC8H-cyclohepta[b]naphthalene-5,11-dione
SMILESO=C1C2=C(C=CCC=C2)C(=O)c2ccccc21
InChIInChI=1S/C15H10O2/c16-14-10-6-2-1-3-7-11(10)15(17)13-9-5-4-8-12(13)14/h2-9H,1H2
InChIKeyKZFCHEMYQCLUQZ-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.88
Rot. Bonds

About 8H-cyclohepta[b]naphthalene-5,11-dione

8H-cyclohepta[b]naphthalene-5,11-dione (PubChem CID 142997660) has the molecular formula C15H10O2 and a molecular weight of 222.24 g/mol. Its IUPAC name is 8H-cyclohepta[b]naphthalene-5,11-dione.

Molecular Properties

Compound Name8H-cyclohepta[b]naphthalene-5,11-dione
PubChem CID142997660
Molecular FormulaC15H10O2
Molecular Weight222.24 g/mol
Exact Mass222.07
IUPAC Name8H-cyclohepta[b]naphthalene-5,11-dione
SMILESO=C1C2=C(C=CCC=C2)C(=O)c2ccccc21
InChIInChI=1S/C15H10O2/c16-14-10-6-2-1-3-7-11(10)15(17)13-9-5-4-8-12(13)14/h2-9H,1H2
InChIKeyKZFCHEMYQCLUQZ-UHFFFAOYSA-N
XLogP2.88
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8H-cyclohepta[b]naphthalene-5,11-dione?
The IUPAC name of 8H-cyclohepta[b]naphthalene-5,11-dione (CID 142997660) is 8H-cyclohepta[b]naphthalene-5,11-dione.
What is the SMILES notation for 8H-cyclohepta[b]naphthalene-5,11-dione?
The canonical SMILES for 8H-cyclohepta[b]naphthalene-5,11-dione is O=C1C2=C(C=CCC=C2)C(=O)c2ccccc21.
What is the InChIKey of 8H-cyclohepta[b]naphthalene-5,11-dione?
The InChIKey is KZFCHEMYQCLUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O2/c16-14-10-6-2-1-3-7-11(10)15(17)13-9-5-4-8-12(13)14/h2-9H,1H2.
What are the key properties of 8H-cyclohepta[b]naphthalene-5,11-dione?
8H-cyclohepta[b]naphthalene-5,11-dione has a molecular weight of 222.24 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8H-cyclohepta[b]naphthalene-5,11-dione is sourced from PubChem (CID 142997660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).