(1R,4R,7S,10S)-9-phenyltricyclo[5.2.1.04,10]deca-5,8-dien-2-one

C16H14O — CID 124807073

IUPAC(1R,4R,7S,10S)-9-phenyltricyclo[5.2.1.04,10]deca-5,8-dien-2-one
SMILESO=C1C[C@@H]2C=C[C@@H]3C=C(c4ccccc4)[C@H]1[C@H]32
InChIInChI=1S/C16H14O/c17-14-9-12-7-6-11-8-13(16(14)15(11)12)10-4-2-1-3-5-10/h1-8,11-12,15-16H,9H2/t11-,12+,15-,16-/m1/s1
InChIKeyUEMYAOLZGPYWPV-NOXHYTERSA-N
MW222.29 g/mol
LogP3.09
Rot. Bonds1

About (1R,4R,7S,10S)-9-phenyltricyclo[5.2.1.04,10]deca-5,8-dien-2-one

(1R,4R,7S,10S)-9-phenyltricyclo[5.2.1.04,10]deca-5,8-dien-2-one (PubChem CID 124807073) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is (1R,4R,7S,10S)-9-phenyltricyclo[5.2.1.04,10]deca-5,8-dien-2-one.

Molecular Properties

Compound Name(1R,4R,7S,10S)-9-phenyltricyclo[5.2.1.04,10]deca-5,8-dien-2-one
PubChem CID124807073
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name(1R,4R,7S,10S)-9-phenyltricyclo[5.2.1.04,10]deca-5,8-dien-2-one
SMILESO=C1C[C@@H]2C=C[C@@H]3C=C(c4ccccc4)[C@H]1[C@H]32
InChIInChI=1S/C16H14O/c17-14-9-12-7-6-11-8-13(16(14)15(11)12)10-4-2-1-3-5-10/h1-8,11-12,15-16H,9H2/t11-,12+,15-,16-/m1/s1
InChIKeyUEMYAOLZGPYWPV-NOXHYTERSA-N
XLogP3.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R,2R,4R,7S,10R)-9-phenyltricyclo[5.2.1.04,10]deca-5,8-dien-2-ol
CID 124916174
(4R)-4-methyl-3-phenylcyclopent-2-en-1-one
CID 100920328
cis-(2S,3S)-3-tert-butyl-2-phenylcyclobutan-1-one
CID 101134635
(1S,4S,5R,8R)-2,4,8-triphenylbicyclo[3.3.1]nona-2,6-diene
CID 95931340
(1R,2R,4S,5S)-2,4-diphenylbicyclo[3.2.1]oct-6-en-3-one
CID 10978676
bicyclo[2.2.0]hex-5-en-2-one
CID 139618189
3-phenyltricyclo[5.2.1.02,6]deca-3,8-diene
CID 75242817
(1R,4S,7S,8S)-7,8-bis(phenylmethoxy)bicyclo[2.2.2]oct-5-en-2-one
CID 71376206
(2R)-2-hydroxy-3-phenyl-2H-furan-5-one
CID 163035429
(1S,2S,6R,7R)-5-phenyl-4-(trifluoromethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
CID 134843985
(3aS,7aS)-1-phenyl-3,4,5,6,7,7a-hexahydroindene-3a-carbaldehyde
CID 102275488
2,3-diphenylcyclododecane-1,4-dione
CID 101032541

Frequently Asked Questions

What is the IUPAC name of (1R,4R,7S,10S)-9-phenyltricyclo[5.2.1.04,10]deca-5,8-dien-2-one?
The IUPAC name of (1R,4R,7S,10S)-9-phenyltricyclo[5.2.1.04,10]deca-5,8-dien-2-one (CID 124807073) is (1R,4R,7S,10S)-9-phenyltricyclo[5.2.1.04,10]deca-5,8-dien-2-one.
What is the SMILES notation for (1R,4R,7S,10S)-9-phenyltricyclo[5.2.1.04,10]deca-5,8-dien-2-one?
The canonical SMILES for (1R,4R,7S,10S)-9-phenyltricyclo[5.2.1.04,10]deca-5,8-dien-2-one is O=C1C[C@@H]2C=C[C@@H]3C=C(c4ccccc4)[C@H]1[C@H]32.
What is the InChIKey of (1R,4R,7S,10S)-9-phenyltricyclo[5.2.1.04,10]deca-5,8-dien-2-one?
The InChIKey is UEMYAOLZGPYWPV-NOXHYTERSA-N. The full InChI is InChI=1S/C16H14O/c17-14-9-12-7-6-11-8-13(16(14)15(11)12)10-4-2-1-3-5-10/h1-8,11-12,15-16H,9H2/t11-,12+,15-,16-/m1/s1.
What are the key properties of (1R,4R,7S,10S)-9-phenyltricyclo[5.2.1.04,10]deca-5,8-dien-2-one?
(1R,4R,7S,10S)-9-phenyltricyclo[5.2.1.04,10]deca-5,8-dien-2-one has a molecular weight of 222.29 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,7S,10S)-9-phenyltricyclo[5.2.1.04,10]deca-5,8-dien-2-one is sourced from PubChem (CID 124807073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).