(1S,5R)-5-methyl-2-phenylbicyclo[3.2.0]hept-2-ene

C14H16 — CID 101134154

IUPAC(1S,5R)-5-methyl-2-phenylbicyclo[3.2.0]hept-2-ene
SMILESC[C@@]12CC=C(c3ccccc3)[C@H]1CC2
InChIInChI=1S/C14H16/c1-14-9-7-12(13(14)8-10-14)11-5-3-2-4-6-11/h2-7,13H,8-10H2,1H3/t13-,14+/m1/s1
InChIKeyIMLCTUATAXOJRJ-KGLIPLIRSA-N
MW184.28 g/mol
LogP3.89
Rot. Bonds1

About (1S,5R)-5-methyl-2-phenylbicyclo[3.2.0]hept-2-ene

(1S,5R)-5-methyl-2-phenylbicyclo[3.2.0]hept-2-ene (PubChem CID 101134154) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is (1S,5R)-5-methyl-2-phenylbicyclo[3.2.0]hept-2-ene.

Molecular Properties

Compound Name(1S,5R)-5-methyl-2-phenylbicyclo[3.2.0]hept-2-ene
PubChem CID101134154
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name(1S,5R)-5-methyl-2-phenylbicyclo[3.2.0]hept-2-ene
SMILESC[C@@]12CC=C(c3ccccc3)[C@H]1CC2
InChIInChI=1S/C14H16/c1-14-9-7-12(13(14)8-10-14)11-5-3-2-4-6-11/h2-7,13H,8-10H2,1H3/t13-,14+/m1/s1
InChIKeyIMLCTUATAXOJRJ-KGLIPLIRSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-5-methyl-2-phenylbicyclo[3.2.0]hept-2-ene?
The IUPAC name of (1S,5R)-5-methyl-2-phenylbicyclo[3.2.0]hept-2-ene (CID 101134154) is (1S,5R)-5-methyl-2-phenylbicyclo[3.2.0]hept-2-ene.
What is the SMILES notation for (1S,5R)-5-methyl-2-phenylbicyclo[3.2.0]hept-2-ene?
The canonical SMILES for (1S,5R)-5-methyl-2-phenylbicyclo[3.2.0]hept-2-ene is C[C@@]12CC=C(c3ccccc3)[C@H]1CC2.
What is the InChIKey of (1S,5R)-5-methyl-2-phenylbicyclo[3.2.0]hept-2-ene?
The InChIKey is IMLCTUATAXOJRJ-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H16/c1-14-9-7-12(13(14)8-10-14)11-5-3-2-4-6-11/h2-7,13H,8-10H2,1H3/t13-,14+/m1/s1.
What are the key properties of (1S,5R)-5-methyl-2-phenylbicyclo[3.2.0]hept-2-ene?
(1S,5R)-5-methyl-2-phenylbicyclo[3.2.0]hept-2-ene has a molecular weight of 184.28 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-5-methyl-2-phenylbicyclo[3.2.0]hept-2-ene is sourced from PubChem (CID 101134154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).