1-(cyclopenten-1-yl)-2-(oxolan-2-yl)ethanone

C11H16O2 — CID 65154590

IUPAC1-(cyclopenten-1-yl)-2-(oxolan-2-yl)ethanone
SMILESO=C(CC1CCCO1)C1=CCCC1
InChIInChI=1S/C11H16O2/c12-11(9-4-1-2-5-9)8-10-6-3-7-13-10/h4,10H,1-3,5-8H2
InChIKeyRJLMIDKAKLBRFZ-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.23
Rot. Bonds3

About 1-(cyclopenten-1-yl)-2-(oxolan-2-yl)ethanone

1-(cyclopenten-1-yl)-2-(oxolan-2-yl)ethanone (PubChem CID 65154590) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-2-(oxolan-2-yl)ethanone.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-2-(oxolan-2-yl)ethanone
PubChem CID65154590
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-(cyclopenten-1-yl)-2-(oxolan-2-yl)ethanone
SMILESO=C(CC1CCCO1)C1=CCCC1
InChIInChI=1S/C11H16O2/c12-11(9-4-1-2-5-9)8-10-6-3-7-13-10/h4,10H,1-3,5-8H2
InChIKeyRJLMIDKAKLBRFZ-UHFFFAOYSA-N
XLogP2.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-2-(oxolan-2-yl)ethanone?
The IUPAC name of 1-(cyclopenten-1-yl)-2-(oxolan-2-yl)ethanone (CID 65154590) is 1-(cyclopenten-1-yl)-2-(oxolan-2-yl)ethanone.
What is the SMILES notation for 1-(cyclopenten-1-yl)-2-(oxolan-2-yl)ethanone?
The canonical SMILES for 1-(cyclopenten-1-yl)-2-(oxolan-2-yl)ethanone is O=C(CC1CCCO1)C1=CCCC1.
What is the InChIKey of 1-(cyclopenten-1-yl)-2-(oxolan-2-yl)ethanone?
The InChIKey is RJLMIDKAKLBRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c12-11(9-4-1-2-5-9)8-10-6-3-7-13-10/h4,10H,1-3,5-8H2.
What are the key properties of 1-(cyclopenten-1-yl)-2-(oxolan-2-yl)ethanone?
1-(cyclopenten-1-yl)-2-(oxolan-2-yl)ethanone has a molecular weight of 180.25 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-2-(oxolan-2-yl)ethanone is sourced from PubChem (CID 65154590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).