2-methylidene-5-phenylbicyclo[2.2.1]heptan-7-one

C14H14O — CID 86069598

IUPAC2-methylidene-5-phenylbicyclo[2.2.1]heptan-7-one
SMILESC=C1CC2C(=O)C1CC2c1ccccc1
InChIInChI=1S/C14H14O/c1-9-7-13-12(8-11(9)14(13)15)10-5-3-2-4-6-10/h2-6,11-13H,1,7-8H2
InChIKeyANVOFFUTUYRYIV-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.94
Rot. Bonds1

About 2-methylidene-5-phenylbicyclo[2.2.1]heptan-7-one

2-methylidene-5-phenylbicyclo[2.2.1]heptan-7-one (PubChem CID 86069598) has the molecular formula C14H14O and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-methylidene-5-phenylbicyclo[2.2.1]heptan-7-one.

Molecular Properties

Compound Name2-methylidene-5-phenylbicyclo[2.2.1]heptan-7-one
PubChem CID86069598
Molecular FormulaC14H14O
Molecular Weight198.27 g/mol
Exact Mass198.10
IUPAC Name2-methylidene-5-phenylbicyclo[2.2.1]heptan-7-one
SMILESC=C1CC2C(=O)C1CC2c1ccccc1
InChIInChI=1S/C14H14O/c1-9-7-13-12(8-11(9)14(13)15)10-5-3-2-4-6-10/h2-6,11-13H,1,7-8H2
InChIKeyANVOFFUTUYRYIV-UHFFFAOYSA-N
XLogP2.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.94
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

(1S,2S,4R)-2-phenylbicyclo[2.2.1]heptan-7-one
CID 10607594
[(1S)-2-methylidenecyclobutyl]benzene
CID 163933386
2-methylidene-3-phenylcyclopentan-1-one
CID 24978032
(1R,4R,5R,6R,8R)-6-hydroxy-4,8-diphenylbicyclo[3.3.1]nonan-2-one
CID 10566591
(1R,3R,5S)-3-methyl-2-methylidene-5-phenylcyclopentan-1-ol
CID 131136395
(5S,6R)-5,6-diphenylpiperidin-2-one
CID 67807202
2-methylidene-5-phenylcyclohexane-1,3-dione
CID 54567672
5-methyl-7-phenylbicyclo[2.2.2]oct-5-ene-2,3-dione
CID 135070405
(5S,6R)-6-methyl-5-phenylpiperidin-2-one
CID 134491126
cis-(4S,5R)-4-methyl-5-phenylcyclohexane-1,3-dione
CID 59919081
4-[(1R,2S)-2-phenylcyclopropyl]benzoic acid
CID 138543180
trans-(4R,5R)-4,5-diphenylcycloheptan-1-one
CID 58293688

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-5-phenylbicyclo[2.2.1]heptan-7-one?
The IUPAC name of 2-methylidene-5-phenylbicyclo[2.2.1]heptan-7-one (CID 86069598) is 2-methylidene-5-phenylbicyclo[2.2.1]heptan-7-one.
What is the SMILES notation for 2-methylidene-5-phenylbicyclo[2.2.1]heptan-7-one?
The canonical SMILES for 2-methylidene-5-phenylbicyclo[2.2.1]heptan-7-one is C=C1CC2C(=O)C1CC2c1ccccc1.
What is the InChIKey of 2-methylidene-5-phenylbicyclo[2.2.1]heptan-7-one?
The InChIKey is ANVOFFUTUYRYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O/c1-9-7-13-12(8-11(9)14(13)15)10-5-3-2-4-6-10/h2-6,11-13H,1,7-8H2.
What are the key properties of 2-methylidene-5-phenylbicyclo[2.2.1]heptan-7-one?
2-methylidene-5-phenylbicyclo[2.2.1]heptan-7-one has a molecular weight of 198.27 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-5-phenylbicyclo[2.2.1]heptan-7-one is sourced from PubChem (CID 86069598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).