3-(1,3-dioxolan-2-yl)cyclopent-2-en-1-one

C8H10O3 — CID 130031336

IUPAC3-(1,3-dioxolan-2-yl)cyclopent-2-en-1-one
SMILESO=C1C=C(C2OCCO2)CC1
InChIInChI=1S/C8H10O3/c9-7-2-1-6(5-7)8-10-3-4-11-8/h5,8H,1-4H2
InChIKeyXLYHAYZHLXIMJN-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.65
Rot. Bonds1

About 3-(1,3-dioxolan-2-yl)cyclopent-2-en-1-one

3-(1,3-dioxolan-2-yl)cyclopent-2-en-1-one (PubChem CID 130031336) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 3-(1,3-dioxolan-2-yl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(1,3-dioxolan-2-yl)cyclopent-2-en-1-one
PubChem CID130031336
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name3-(1,3-dioxolan-2-yl)cyclopent-2-en-1-one
SMILESO=C1C=C(C2OCCO2)CC1
InChIInChI=1S/C8H10O3/c9-7-2-1-6(5-7)8-10-3-4-11-8/h5,8H,1-4H2
InChIKeyXLYHAYZHLXIMJN-UHFFFAOYSA-N
XLogP0.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Methoxymethoxymethyl)cyclopent-2-en-1-one
CID 15319788
(E)-5-(diethoxymethyl)oct-5-en-2-one
CID 13244551
1,4-Dioxaspiro[4.4]non-6-ene-7-carbaldehyde
CID 57347026

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxolan-2-yl)cyclopent-2-en-1-one?
The IUPAC name of 3-(1,3-dioxolan-2-yl)cyclopent-2-en-1-one (CID 130031336) is 3-(1,3-dioxolan-2-yl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(1,3-dioxolan-2-yl)cyclopent-2-en-1-one?
The canonical SMILES for 3-(1,3-dioxolan-2-yl)cyclopent-2-en-1-one is O=C1C=C(C2OCCO2)CC1.
What is the InChIKey of 3-(1,3-dioxolan-2-yl)cyclopent-2-en-1-one?
The InChIKey is XLYHAYZHLXIMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c9-7-2-1-6(5-7)8-10-3-4-11-8/h5,8H,1-4H2.
What are the key properties of 3-(1,3-dioxolan-2-yl)cyclopent-2-en-1-one?
3-(1,3-dioxolan-2-yl)cyclopent-2-en-1-one has a molecular weight of 154.16 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxolan-2-yl)cyclopent-2-en-1-one is sourced from PubChem (CID 130031336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).