cyclopentanone;cyclopent-3-en-1-one

C10H14O2 — CID 67539002

IUPACcyclopentanone;cyclopent-3-en-1-one
SMILESO=C1CC=CC1.O=C1CCCC1
InChIInChI=1S/C5H8O.C5H6O/c2*6-5-3-1-2-4-5/h1-4H2;1-2H,3-4H2
InChIKeyPYCMKRINKQOQOJ-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.04
Rot. Bonds

About cyclopentanone;cyclopent-3-en-1-one

cyclopentanone;cyclopent-3-en-1-one (PubChem CID 67539002) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is cyclopentanone;cyclopent-3-en-1-one.

Molecular Properties

Compound Namecyclopentanone;cyclopent-3-en-1-one
PubChem CID67539002
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Namecyclopentanone;cyclopent-3-en-1-one
SMILESO=C1CC=CC1.O=C1CCCC1
InChIInChI=1S/C5H8O.C5H6O/c2*6-5-3-1-2-4-5/h1-4H2;1-2H,3-4H2
InChIKeyPYCMKRINKQOQOJ-UHFFFAOYSA-N
XLogP2.04
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 cyclopentanone;cyclopent-3-en-1-one?
The IUPAC name of cyclopentanone;cyclopent-3-en-1-one (CID 67539002) is cyclopentanone;cyclopent-3-en-1-one.
What is the SMILES notation for cyclopentanone;cyclopent-3-en-1-one?
The canonical SMILES for cyclopentanone;cyclopent-3-en-1-one is O=C1CC=CC1.O=C1CCCC1.
What is the InChIKey of cyclopentanone;cyclopent-3-en-1-one?
The InChIKey is PYCMKRINKQOQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O.C5H6O/c2*6-5-3-1-2-4-5/h1-4H2;1-2H,3-4H2.
What are the key properties of cyclopentanone;cyclopent-3-en-1-one?
cyclopentanone;cyclopent-3-en-1-one has a molecular weight of 166.22 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanone;cyclopent-3-en-1-one is sourced from PubChem (CID 67539002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).