tetracyclo[10.2.1.05,14.08,13]pentadeca-5(14),6,8(13),9,11-pentaene-4,15-dione

C15H10O2 — CID 44556617

IUPACtetracyclo[10.2.1.05,14.08,13]pentadeca-5(14),6,8(13),9,11-pentaene-4,15-dione
SMILESO=C1CCC2C(=O)c3cccc4ccc1c2c34
InChIInChI=1S/C15H10O2/c16-12-7-6-11-14-9(12)5-4-8-2-1-3-10(13(8)14)15(11)17/h1-5,11H,6-7H2
InChIKeyIELFUJGVMRFKKR-UHFFFAOYSA-N
MW222.24 g/mol
LogP3.10
Rot. Bonds

About tetracyclo[10.2.1.05,14.08,13]pentadeca-5(14),6,8(13),9,11-pentaene-4,15-dione

tetracyclo[10.2.1.05,14.08,13]pentadeca-5(14),6,8(13),9,11-pentaene-4,15-dione (PubChem CID 44556617) has the molecular formula C15H10O2 and a molecular weight of 222.24 g/mol. Its IUPAC name is tetracyclo[10.2.1.05,14.08,13]pentadeca-5(14),6,8(13),9,11-pentaene-4,15-dione.

Molecular Properties

Compound Nametetracyclo[10.2.1.05,14.08,13]pentadeca-5(14),6,8(13),9,11-pentaene-4,15-dione
PubChem CID44556617
Molecular FormulaC15H10O2
Molecular Weight222.24 g/mol
Exact Mass222.07
IUPAC Nametetracyclo[10.2.1.05,14.08,13]pentadeca-5(14),6,8(13),9,11-pentaene-4,15-dione
SMILESO=C1CCC2C(=O)c3cccc4ccc1c2c34
InChIInChI=1S/C15H10O2/c16-12-7-6-11-14-9(12)5-4-8-2-1-3-10(13(8)14)15(11)17/h1-5,11H,6-7H2
InChIKeyIELFUJGVMRFKKR-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tetracyclo[10.2.1.05,14.08,13]pentadeca-5(14),6,8(13),9,11-pentaene-4,15-dione?
The IUPAC name of tetracyclo[10.2.1.05,14.08,13]pentadeca-5(14),6,8(13),9,11-pentaene-4,15-dione (CID 44556617) is tetracyclo[10.2.1.05,14.08,13]pentadeca-5(14),6,8(13),9,11-pentaene-4,15-dione.
What is the SMILES notation for tetracyclo[10.2.1.05,14.08,13]pentadeca-5(14),6,8(13),9,11-pentaene-4,15-dione?
The canonical SMILES for tetracyclo[10.2.1.05,14.08,13]pentadeca-5(14),6,8(13),9,11-pentaene-4,15-dione is O=C1CCC2C(=O)c3cccc4ccc1c2c34.
What is the InChIKey of tetracyclo[10.2.1.05,14.08,13]pentadeca-5(14),6,8(13),9,11-pentaene-4,15-dione?
The InChIKey is IELFUJGVMRFKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O2/c16-12-7-6-11-14-9(12)5-4-8-2-1-3-10(13(8)14)15(11)17/h1-5,11H,6-7H2.
What are the key properties of tetracyclo[10.2.1.05,14.08,13]pentadeca-5(14),6,8(13),9,11-pentaene-4,15-dione?
tetracyclo[10.2.1.05,14.08,13]pentadeca-5(14),6,8(13),9,11-pentaene-4,15-dione has a molecular weight of 222.24 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[10.2.1.05,14.08,13]pentadeca-5(14),6,8(13),9,11-pentaene-4,15-dione is sourced from PubChem (CID 44556617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).