2-(cyclopropanecarbonyl)pyran-4-one

C9H8O3 — CID 138976199

IUPAC2-(cyclopropanecarbonyl)pyran-4-one
SMILESO=C(c1cc(=O)cco1)C1CC1
InChIInChI=1S/C9H8O3/c10-7-3-4-12-8(5-7)9(11)6-1-2-6/h3-6H,1-2H2
InChIKeyWYOKHMDXRHHNBR-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.23
Rot. Bonds2

About 2-(cyclopropanecarbonyl)pyran-4-one

2-(cyclopropanecarbonyl)pyran-4-one (PubChem CID 138976199) has the molecular formula C9H8O3 and a molecular weight of 164.16 g/mol. Its IUPAC name is 2-(cyclopropanecarbonyl)pyran-4-one.

Molecular Properties

Compound Name2-(cyclopropanecarbonyl)pyran-4-one
PubChem CID138976199
Molecular FormulaC9H8O3
Molecular Weight164.16 g/mol
Exact Mass164.05
IUPAC Name2-(cyclopropanecarbonyl)pyran-4-one
SMILESO=C(c1cc(=O)cco1)C1CC1
InChIInChI=1S/C9H8O3/c10-7-3-4-12-8(5-7)9(11)6-1-2-6/h3-6H,1-2H2
InChIKeyWYOKHMDXRHHNBR-UHFFFAOYSA-N
XLogP1.23
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethoxy-5-methylcyclopent-2-en-1-one
CID 3746604
4-Ethenoxy-2-methylhex-4-en-3-one
CID 90754214
3-Ethenoxy-5-methylhept-2-en-4-one
CID 91059970
(5S)-2-ethoxy-5-methylcyclopent-2-en-1-one
CID 40526964
2-(Cyclopropylmethyl)-3-hydroxypyran-4-one
CID 84652322
1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-one
CID 102646794
cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102646804
1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one
CID 102646869
3,4-dihydro-2H-pyran-6-yl-(2-methylcyclopropyl)methanone
CID 102646917
3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methanone
CID 102646980
2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102646982
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylbutan-1-one
CID 102648619

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonyl)pyran-4-one?
The IUPAC name of 2-(cyclopropanecarbonyl)pyran-4-one (CID 138976199) is 2-(cyclopropanecarbonyl)pyran-4-one.
What is the SMILES notation for 2-(cyclopropanecarbonyl)pyran-4-one?
The canonical SMILES for 2-(cyclopropanecarbonyl)pyran-4-one is O=C(c1cc(=O)cco1)C1CC1.
What is the InChIKey of 2-(cyclopropanecarbonyl)pyran-4-one?
The InChIKey is WYOKHMDXRHHNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3/c10-7-3-4-12-8(5-7)9(11)6-1-2-6/h3-6H,1-2H2.
What are the key properties of 2-(cyclopropanecarbonyl)pyran-4-one?
2-(cyclopropanecarbonyl)pyran-4-one has a molecular weight of 164.16 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonyl)pyran-4-one is sourced from PubChem (CID 138976199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).