(2E)-2-ethylidene-6-phenylbicyclo[2.2.1]heptane

C15H18 — CID 14490424

IUPAC(2E)-2-ethylidene-6-phenylbicyclo[2.2.1]heptane
SMILESC/C=C1\CC2CC1C(c1ccccc1)C2
InChIInChI=1S/C15H18/c1-2-12-8-11-9-14(12)15(10-11)13-6-4-3-5-7-13/h2-7,11,14-15H,8-10H2,1H3/b12-2+
InChIKeyAXLXGLDMAOFLDA-SWGQDTFXSA-N
MW198.31 g/mol
LogP4.15
Rot. Bonds1

About (2E)-2-ethylidene-6-phenylbicyclo[2.2.1]heptane

(2E)-2-ethylidene-6-phenylbicyclo[2.2.1]heptane (PubChem CID 14490424) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is (2E)-2-ethylidene-6-phenylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(2E)-2-ethylidene-6-phenylbicyclo[2.2.1]heptane
PubChem CID14490424
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name(2E)-2-ethylidene-6-phenylbicyclo[2.2.1]heptane
SMILESC/C=C1\CC2CC1C(c1ccccc1)C2
InChIInChI=1S/C15H18/c1-2-12-8-11-9-14(12)15(10-11)13-6-4-3-5-7-13/h2-7,11,14-15H,8-10H2,1H3/b12-2+
InChIKeyAXLXGLDMAOFLDA-SWGQDTFXSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidene-6-phenylbicyclo[2.2.1]heptane?
The IUPAC name of (2E)-2-ethylidene-6-phenylbicyclo[2.2.1]heptane (CID 14490424) is (2E)-2-ethylidene-6-phenylbicyclo[2.2.1]heptane.
What is the SMILES notation for (2E)-2-ethylidene-6-phenylbicyclo[2.2.1]heptane?
The canonical SMILES for (2E)-2-ethylidene-6-phenylbicyclo[2.2.1]heptane is C/C=C1\CC2CC1C(c1ccccc1)C2.
What is the InChIKey of (2E)-2-ethylidene-6-phenylbicyclo[2.2.1]heptane?
The InChIKey is AXLXGLDMAOFLDA-SWGQDTFXSA-N. The full InChI is InChI=1S/C15H18/c1-2-12-8-11-9-14(12)15(10-11)13-6-4-3-5-7-13/h2-7,11,14-15H,8-10H2,1H3/b12-2+.
What are the key properties of (2E)-2-ethylidene-6-phenylbicyclo[2.2.1]heptane?
(2E)-2-ethylidene-6-phenylbicyclo[2.2.1]heptane has a molecular weight of 198.31 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-6-phenylbicyclo[2.2.1]heptane is sourced from PubChem (CID 14490424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).