[(1R,2Z)-2-benzylidenecyclopentyl] acetate

C14H16O2 — CID 102458631

IUPAC[(1R,2Z)-2-benzylidenecyclopentyl] acetate
SMILESCC(=O)O[C@@H]1CCC/C1=C/c1ccccc1
InChIInChI=1S/C14H16O2/c1-11(15)16-14-9-5-8-13(14)10-12-6-3-2-4-7-12/h2-4,6-7,10,14H,5,8-9H2,1H3/b13-10-/t14-/m1/s1
InChIKeyFQYLACKNKXNPDD-QLKUMGTLSA-N
MW216.28 g/mol
LogP3.19
Rot. Bonds2

About [(1R,2Z)-2-benzylidenecyclopentyl] acetate

[(1R,2Z)-2-benzylidenecyclopentyl] acetate (PubChem CID 102458631) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is [(1R,2Z)-2-benzylidenecyclopentyl] acetate.

Molecular Properties

Compound Name[(1R,2Z)-2-benzylidenecyclopentyl] acetate
PubChem CID102458631
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name[(1R,2Z)-2-benzylidenecyclopentyl] acetate
SMILESCC(=O)O[C@@H]1CCC/C1=C/c1ccccc1
InChIInChI=1S/C14H16O2/c1-11(15)16-14-9-5-8-13(14)10-12-6-3-2-4-7-12/h2-4,6-7,10,14H,5,8-9H2,1H3/b13-10-/t14-/m1/s1
InChIKeyFQYLACKNKXNPDD-QLKUMGTLSA-N
XLogP3.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,2Z)-2-benzylidenecyclopentyl] acetate?
The IUPAC name of [(1R,2Z)-2-benzylidenecyclopentyl] acetate (CID 102458631) is [(1R,2Z)-2-benzylidenecyclopentyl] acetate.
What is the SMILES notation for [(1R,2Z)-2-benzylidenecyclopentyl] acetate?
The canonical SMILES for [(1R,2Z)-2-benzylidenecyclopentyl] acetate is CC(=O)O[C@@H]1CCC/C1=C/c1ccccc1.
What is the InChIKey of [(1R,2Z)-2-benzylidenecyclopentyl] acetate?
The InChIKey is FQYLACKNKXNPDD-QLKUMGTLSA-N. The full InChI is InChI=1S/C14H16O2/c1-11(15)16-14-9-5-8-13(14)10-12-6-3-2-4-7-12/h2-4,6-7,10,14H,5,8-9H2,1H3/b13-10-/t14-/m1/s1.
What are the key properties of [(1R,2Z)-2-benzylidenecyclopentyl] acetate?
[(1R,2Z)-2-benzylidenecyclopentyl] acetate has a molecular weight of 216.28 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2Z)-2-benzylidenecyclopentyl] acetate is sourced from PubChem (CID 102458631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).