8-methylidene-6,7,9,10-tetrahydrocyclohepta[b]naphthalene-5,11-dione

C16H14O2 — CID 178049561

IUPAC8-methylidene-6,7,9,10-tetrahydrocyclohepta[b]naphthalene-5,11-dione
SMILESC=C1CCC2=C(CC1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H14O2/c1-10-6-8-13-14(9-7-10)16(18)12-5-3-2-4-11(12)15(13)17/h2-5H,1,6-9H2
InChIKeyZPLIJMPVCAUGMH-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.49
Rot. Bonds

About 8-methylidene-6,7,9,10-tetrahydrocyclohepta[b]naphthalene-5,11-dione

8-methylidene-6,7,9,10-tetrahydrocyclohepta[b]naphthalene-5,11-dione (PubChem CID 178049561) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 8-methylidene-6,7,9,10-tetrahydrocyclohepta[b]naphthalene-5,11-dione.

Molecular Properties

Compound Name8-methylidene-6,7,9,10-tetrahydrocyclohepta[b]naphthalene-5,11-dione
PubChem CID178049561
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name8-methylidene-6,7,9,10-tetrahydrocyclohepta[b]naphthalene-5,11-dione
SMILESC=C1CCC2=C(CC1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H14O2/c1-10-6-8-13-14(9-7-10)16(18)12-5-3-2-4-11(12)15(13)17/h2-5H,1,6-9H2
InChIKeyZPLIJMPVCAUGMH-UHFFFAOYSA-N
XLogP3.49
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 122218623
anthracene;1,2,3,4-tetrahydroanthracene-9,10-dione
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3,4-dihydro-1H-benzo[g]isothiochromene-5,10-dione
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lithium;anthracene-9,10-dione;hydride
CID 174683199
anthracene-9,10-dione;hydrofluoride
CID 172728823
CID 67824005
CID 67824005
CID 66807709
CID 66807709
phenanthrene-9,10-dione
CID 6763
anthracene-9,10-dione;platinum(2+);dichloride
CID 174702138
anthracene-9,10-dione;hydrate;hydrochloride
CID 177309925
CID 118898551
CID 118898551

Frequently Asked Questions

What is the IUPAC name of 8-methylidene-6,7,9,10-tetrahydrocyclohepta[b]naphthalene-5,11-dione?
The IUPAC name of 8-methylidene-6,7,9,10-tetrahydrocyclohepta[b]naphthalene-5,11-dione (CID 178049561) is 8-methylidene-6,7,9,10-tetrahydrocyclohepta[b]naphthalene-5,11-dione.
What is the SMILES notation for 8-methylidene-6,7,9,10-tetrahydrocyclohepta[b]naphthalene-5,11-dione?
The canonical SMILES for 8-methylidene-6,7,9,10-tetrahydrocyclohepta[b]naphthalene-5,11-dione is C=C1CCC2=C(CC1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 8-methylidene-6,7,9,10-tetrahydrocyclohepta[b]naphthalene-5,11-dione?
The InChIKey is ZPLIJMPVCAUGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-10-6-8-13-14(9-7-10)16(18)12-5-3-2-4-11(12)15(13)17/h2-5H,1,6-9H2.
What are the key properties of 8-methylidene-6,7,9,10-tetrahydrocyclohepta[b]naphthalene-5,11-dione?
8-methylidene-6,7,9,10-tetrahydrocyclohepta[b]naphthalene-5,11-dione has a molecular weight of 238.29 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylidene-6,7,9,10-tetrahydrocyclohepta[b]naphthalene-5,11-dione is sourced from PubChem (CID 178049561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).