bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaen-4-one

C12H10O — CID 2751995

IUPACbicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaen-4-one
SMILESO=C1/C=C\C2=CC=CC=C(/C=C\1)C2
InChIInChI=1S/C12H10O/c13-12-7-5-10-3-1-2-4-11(9-10)6-8-12/h1-8H,9H2/b7-5-,8-6-
InChIKeyRWWZETHJYZXSMA-SFECMWDFSA-N
MW170.21 g/mol
LogP2.49
Rot. Bonds

About bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaen-4-one

bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaen-4-one (PubChem CID 2751995) has the molecular formula C12H10O and a molecular weight of 170.21 g/mol. Its IUPAC name is bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaen-4-one.

Molecular Properties

Compound Namebicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaen-4-one
PubChem CID2751995
Molecular FormulaC12H10O
Molecular Weight170.21 g/mol
Exact Mass170.07
IUPAC Namebicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaen-4-one
SMILESO=C1/C=C\C2=CC=CC=C(/C=C\1)C2
InChIInChI=1S/C12H10O/c13-12-7-5-10-3-1-2-4-11(9-10)6-8-12/h1-8H,9H2/b7-5-,8-6-
InChIKeyRWWZETHJYZXSMA-SFECMWDFSA-N
XLogP2.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaen-4-one?
The IUPAC name of bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaen-4-one (CID 2751995) is bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaen-4-one.
What is the SMILES notation for bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaen-4-one?
The canonical SMILES for bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaen-4-one is O=C1/C=C\C2=CC=CC=C(/C=C\1)C2.
What is the InChIKey of bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaen-4-one?
The InChIKey is RWWZETHJYZXSMA-SFECMWDFSA-N. The full InChI is InChI=1S/C12H10O/c13-12-7-5-10-3-1-2-4-11(9-10)6-8-12/h1-8H,9H2/b7-5-,8-6-.
What are the key properties of bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaen-4-one?
bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaen-4-one has a molecular weight of 170.21 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaen-4-one is sourced from PubChem (CID 2751995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).