cyclopenten-1-yl(3,4-dihydro-2H-pyran-5-yl)methanone

C11H14O2 — CID 14974779

IUPACcyclopenten-1-yl(3,4-dihydro-2H-pyran-5-yl)methanone
SMILESO=C(C1=CCCC1)C1=COCCC1
InChIInChI=1S/C11H14O2/c12-11(9-4-1-2-5-9)10-6-3-7-13-8-10/h4,8H,1-3,5-7H2
InChIKeyOXIVDGBBSHWCEO-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.36
Rot. Bonds2

About cyclopenten-1-yl(3,4-dihydro-2H-pyran-5-yl)methanone

cyclopenten-1-yl(3,4-dihydro-2H-pyran-5-yl)methanone (PubChem CID 14974779) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is cyclopenten-1-yl(3,4-dihydro-2H-pyran-5-yl)methanone.

Molecular Properties

Compound Namecyclopenten-1-yl(3,4-dihydro-2H-pyran-5-yl)methanone
PubChem CID14974779
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Namecyclopenten-1-yl(3,4-dihydro-2H-pyran-5-yl)methanone
SMILESO=C(C1=CCCC1)C1=COCCC1
InChIInChI=1S/C11H14O2/c12-11(9-4-1-2-5-9)10-6-3-7-13-8-10/h4,8H,1-3,5-7H2
InChIKeyOXIVDGBBSHWCEO-UHFFFAOYSA-N
XLogP2.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl(3,4-dihydro-2H-pyran-5-yl)methanone?
The IUPAC name of cyclopenten-1-yl(3,4-dihydro-2H-pyran-5-yl)methanone (CID 14974779) is cyclopenten-1-yl(3,4-dihydro-2H-pyran-5-yl)methanone.
What is the SMILES notation for cyclopenten-1-yl(3,4-dihydro-2H-pyran-5-yl)methanone?
The canonical SMILES for cyclopenten-1-yl(3,4-dihydro-2H-pyran-5-yl)methanone is O=C(C1=CCCC1)C1=COCCC1.
What is the InChIKey of cyclopenten-1-yl(3,4-dihydro-2H-pyran-5-yl)methanone?
The InChIKey is OXIVDGBBSHWCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c12-11(9-4-1-2-5-9)10-6-3-7-13-8-10/h4,8H,1-3,5-7H2.
What are the key properties of cyclopenten-1-yl(3,4-dihydro-2H-pyran-5-yl)methanone?
cyclopenten-1-yl(3,4-dihydro-2H-pyran-5-yl)methanone has a molecular weight of 178.23 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl(3,4-dihydro-2H-pyran-5-yl)methanone is sourced from PubChem (CID 14974779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).