1-(3,4-dihydro-2H-pyran-2-yl)propan-1-one

C8H12O2 — CID 89011485

IUPAC1-(3,4-dihydro-2H-pyran-2-yl)propan-1-one
SMILESCCC(=O)C1CCC=CO1
InChIInChI=1S/C8H12O2/c1-2-7(9)8-5-3-4-6-10-8/h4,6,8H,2-3,5H2,1H3
InChIKeyICJOJJXYJHTFBJ-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.66
Rot. Bonds2

About 1-(3,4-dihydro-2H-pyran-2-yl)propan-1-one

1-(3,4-dihydro-2H-pyran-2-yl)propan-1-one (PubChem CID 89011485) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-2-yl)propan-1-one
PubChem CID89011485
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name1-(3,4-dihydro-2H-pyran-2-yl)propan-1-one
SMILESCCC(=O)C1CCC=CO1
InChIInChI=1S/C8H12O2/c1-2-7(9)8-5-3-4-6-10-8/h4,6,8H,2-3,5H2,1H3
InChIKeyICJOJJXYJHTFBJ-UHFFFAOYSA-N
XLogP1.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethanone, 1-(3,4-dihydro-6-methyl-2H-pyran-2-yl)-
CID 141413
1-(3,4-Dihydro-2H-pyran-2-yl)ethan-1-one
CID 14433377
2-Propionyl-6-methyl-3,4-dihydropyran
CID 566126
2H-Pyran-3,4-dione, 2-ethyl-
CID 9870183
3-Methoxyoct-7-en-2-one
CID 11019112
3-Propan-2-yloxyoct-7-en-2-one
CID 15415823
Acetyl-methyl-dihydropyran
CID 20314083
1-(6-ethyl-3,4-dihydro-2H-pyran-2-yl)propan-1-one
CID 85987215
1-(6-methyl-3,4-dihydro-2H-pyran-2-yl)pent-4-en-1-one
CID 101800518
2-Acetyl-4-methyl-3,4-dihydropyran
CID 134158646
1-(5-methyl-3,4-dihydro-2H-pyran-2-yl)ethanone
CID 22212624
1-(3,4-dihydro-2H-pyran-2-yl)propan-2-one
CID 20314088

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-2-yl)propan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-2-yl)propan-1-one (CID 89011485) is 1-(3,4-dihydro-2H-pyran-2-yl)propan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-2-yl)propan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-2-yl)propan-1-one is CCC(=O)C1CCC=CO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-2-yl)propan-1-one?
The InChIKey is ICJOJJXYJHTFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-7(9)8-5-3-4-6-10-8/h4,6,8H,2-3,5H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-2-yl)propan-1-one?
1-(3,4-dihydro-2H-pyran-2-yl)propan-1-one has a molecular weight of 140.18 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-2-yl)propan-1-one is sourced from PubChem (CID 89011485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).