(1S,2R,4R)-2-[(E)-3-phenylprop-2-enyl]bicyclo[2.2.1]heptane

C16H20 — CID 71507650

IUPAC(1S,2R,4R)-2-[(E)-3-phenylprop-2-enyl]bicyclo[2.2.1]heptane
SMILESC(=C/c1ccccc1)\C[C@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C16H20/c1-2-5-13(6-3-1)7-4-8-15-11-14-9-10-16(15)12-14/h1-7,14-16H,8-12H2/b7-4+/t14-,15-,16-/m0/s1
InChIKeyKEYTZPFQDYLKPO-VUSXOHGVSA-N
MW212.34 g/mol
LogP4.53
Rot. Bonds3

About (1S,2R,4R)-2-[(E)-3-phenylprop-2-enyl]bicyclo[2.2.1]heptane

(1S,2R,4R)-2-[(E)-3-phenylprop-2-enyl]bicyclo[2.2.1]heptane (PubChem CID 71507650) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is (1S,2R,4R)-2-[(E)-3-phenylprop-2-enyl]bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,2R,4R)-2-[(E)-3-phenylprop-2-enyl]bicyclo[2.2.1]heptane
PubChem CID71507650
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name(1S,2R,4R)-2-[(E)-3-phenylprop-2-enyl]bicyclo[2.2.1]heptane
SMILESC(=C/c1ccccc1)\C[C@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C16H20/c1-2-5-13(6-3-1)7-4-8-15-11-14-9-10-16(15)12-14/h1-7,14-16H,8-12H2/b7-4+/t14-,15-,16-/m0/s1
InChIKeyKEYTZPFQDYLKPO-VUSXOHGVSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(E)-3-cyclohexylprop-1-enyl]benzene
CID 22325167
1-(2-bicyclo[2.2.1]heptanyl)-3-phenylbutan-2-ol
CID 79557822
[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-diphenylphosphane
CID 102055643
2-(2-deuterio-2-phenylethyl)bicyclo[2.2.1]heptane
CID 101152696
1-(2-bicyclo[2.2.1]heptanyl)-4-phenoxybutan-2-ol
CID 79558645
[3-(2-bicyclo[2.2.1]heptanyl)-1-ethoxy-1-phenylpropan-2-yl]hydrazine
CID 105279376
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
2-[3-chloro-2-(2-fluorophenyl)propyl]bicyclo[2.2.1]heptane
CID 79549846
(Z)-7-(2-bicyclo[2.2.1]heptanyl)hept-5-enoic acid
CID 70511264
5-(2-bicyclo[2.2.1]heptanyl)-N-methylpent-3-en-1-amine
CID 79590034
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylfuran-3-yl)ethanamine
CID 104789651
2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 115853955

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-2-[(E)-3-phenylprop-2-enyl]bicyclo[2.2.1]heptane?
The IUPAC name of (1S,2R,4R)-2-[(E)-3-phenylprop-2-enyl]bicyclo[2.2.1]heptane (CID 71507650) is (1S,2R,4R)-2-[(E)-3-phenylprop-2-enyl]bicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,2R,4R)-2-[(E)-3-phenylprop-2-enyl]bicyclo[2.2.1]heptane?
The canonical SMILES for (1S,2R,4R)-2-[(E)-3-phenylprop-2-enyl]bicyclo[2.2.1]heptane is C(=C/c1ccccc1)\C[C@H]1C[C@@H]2CC[C@H]1C2.
What is the InChIKey of (1S,2R,4R)-2-[(E)-3-phenylprop-2-enyl]bicyclo[2.2.1]heptane?
The InChIKey is KEYTZPFQDYLKPO-VUSXOHGVSA-N. The full InChI is InChI=1S/C16H20/c1-2-5-13(6-3-1)7-4-8-15-11-14-9-10-16(15)12-14/h1-7,14-16H,8-12H2/b7-4+/t14-,15-,16-/m0/s1.
What are the key properties of (1S,2R,4R)-2-[(E)-3-phenylprop-2-enyl]bicyclo[2.2.1]heptane?
(1S,2R,4R)-2-[(E)-3-phenylprop-2-enyl]bicyclo[2.2.1]heptane has a molecular weight of 212.34 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-2-[(E)-3-phenylprop-2-enyl]bicyclo[2.2.1]heptane is sourced from PubChem (CID 71507650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).