cyclopenten-1-yl-(2-methyloxolan-3-yl)methanone

C11H16O2 — CID 79758236

IUPACcyclopenten-1-yl-(2-methyloxolan-3-yl)methanone
SMILESCC1OCCC1C(=O)C1=CCCC1
InChIInChI=1S/C11H16O2/c1-8-10(6-7-13-8)11(12)9-4-2-3-5-9/h4,8,10H,2-3,5-7H2,1H3
InChIKeyBCBVMIYNABDZKF-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.09
Rot. Bonds2

About cyclopenten-1-yl-(2-methyloxolan-3-yl)methanone

cyclopenten-1-yl-(2-methyloxolan-3-yl)methanone (PubChem CID 79758236) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is cyclopenten-1-yl-(2-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Namecyclopenten-1-yl-(2-methyloxolan-3-yl)methanone
PubChem CID79758236
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Namecyclopenten-1-yl-(2-methyloxolan-3-yl)methanone
SMILESCC1OCCC1C(=O)C1=CCCC1
InChIInChI=1S/C11H16O2/c1-8-10(6-7-13-8)11(12)9-4-2-3-5-9/h4,8,10H,2-3,5-7H2,1H3
InChIKeyBCBVMIYNABDZKF-UHFFFAOYSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-(2-methyloxolan-3-yl)methanone?
The IUPAC name of cyclopenten-1-yl-(2-methyloxolan-3-yl)methanone (CID 79758236) is cyclopenten-1-yl-(2-methyloxolan-3-yl)methanone.
What is the SMILES notation for cyclopenten-1-yl-(2-methyloxolan-3-yl)methanone?
The canonical SMILES for cyclopenten-1-yl-(2-methyloxolan-3-yl)methanone is CC1OCCC1C(=O)C1=CCCC1.
What is the InChIKey of cyclopenten-1-yl-(2-methyloxolan-3-yl)methanone?
The InChIKey is BCBVMIYNABDZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-8-10(6-7-13-8)11(12)9-4-2-3-5-9/h4,8,10H,2-3,5-7H2,1H3.
What are the key properties of cyclopenten-1-yl-(2-methyloxolan-3-yl)methanone?
cyclopenten-1-yl-(2-methyloxolan-3-yl)methanone has a molecular weight of 180.25 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-(2-methyloxolan-3-yl)methanone is sourced from PubChem (CID 79758236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).