cyclopenten-1-yl acetate

C7H10O2 — CID 4640893

IUPACcyclopenten-1-yl acetate
SMILESCC(=O)OC1=CCCC1
InChIInChI=1S/C7H10O2/c1-6(8)9-7-4-2-3-5-7/h4H,2-3,5H2,1H3
InChIKeyMBVZEDIBUZMQOR-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.62
Rot. Bonds1

About cyclopenten-1-yl acetate

cyclopenten-1-yl acetate (PubChem CID 4640893) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is cyclopenten-1-yl acetate.

Molecular Properties

Compound Namecyclopenten-1-yl acetate
PubChem CID4640893
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Namecyclopenten-1-yl acetate
SMILESCC(=O)OC1=CCCC1
InChIInChI=1S/C7H10O2/c1-6(8)9-7-4-2-3-5-7/h4H,2-3,5H2,1H3
InChIKeyMBVZEDIBUZMQOR-UHFFFAOYSA-N
XLogP1.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl acetate?
The IUPAC name of cyclopenten-1-yl acetate (CID 4640893) is cyclopenten-1-yl acetate.
What is the SMILES notation for cyclopenten-1-yl acetate?
The canonical SMILES for cyclopenten-1-yl acetate is CC(=O)OC1=CCCC1.
What is the InChIKey of cyclopenten-1-yl acetate?
The InChIKey is MBVZEDIBUZMQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-6(8)9-7-4-2-3-5-7/h4H,2-3,5H2,1H3.
What are the key properties of cyclopenten-1-yl acetate?
cyclopenten-1-yl acetate has a molecular weight of 126.15 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl acetate is sourced from PubChem (CID 4640893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).