1-cyclopropyl-2-(3,4-dihydro-2H-pyran-4-yl)ethanone

C10H14O2 — CID 15213566

IUPAC1-cyclopropyl-2-(3,4-dihydro-2H-pyran-4-yl)ethanone
SMILESO=C(CC1C=COCC1)C1CC1
InChIInChI=1S/C10H14O2/c11-10(9-1-2-9)7-8-3-5-12-6-4-8/h3,5,8-9H,1-2,4,6-7H2
InChIKeyUOIBNVXUQVLBDH-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.91
Rot. Bonds3

About 1-cyclopropyl-2-(3,4-dihydro-2H-pyran-4-yl)ethanone

1-cyclopropyl-2-(3,4-dihydro-2H-pyran-4-yl)ethanone (PubChem CID 15213566) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3,4-dihydro-2H-pyran-4-yl)ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(3,4-dihydro-2H-pyran-4-yl)ethanone
PubChem CID15213566
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-cyclopropyl-2-(3,4-dihydro-2H-pyran-4-yl)ethanone
SMILESO=C(CC1C=COCC1)C1CC1
InChIInChI=1S/C10H14O2/c11-10(9-1-2-9)7-8-3-5-12-6-4-8/h3,5,8-9H,1-2,4,6-7H2
InChIKeyUOIBNVXUQVLBDH-UHFFFAOYSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-pyran-3-yl)butan-2-one
CID 174864004
2-(3,4-dihydro-2H-pyran-4-yl)pentan-3-one
CID 15213565
cyclopropyl(3,4-dihydro-2H-pyran-5-yl)methanone
CID 104058246
3,4-dihydro-2H-pyran-5-yl-(2-methylcyclopropyl)methanone
CID 104058360
2-cyclopropyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone
CID 104058427
2-cyclopropyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one
CID 115798134

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3,4-dihydro-2H-pyran-4-yl)ethanone?
The IUPAC name of 1-cyclopropyl-2-(3,4-dihydro-2H-pyran-4-yl)ethanone (CID 15213566) is 1-cyclopropyl-2-(3,4-dihydro-2H-pyran-4-yl)ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(3,4-dihydro-2H-pyran-4-yl)ethanone?
The canonical SMILES for 1-cyclopropyl-2-(3,4-dihydro-2H-pyran-4-yl)ethanone is O=C(CC1C=COCC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(3,4-dihydro-2H-pyran-4-yl)ethanone?
The InChIKey is UOIBNVXUQVLBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c11-10(9-1-2-9)7-8-3-5-12-6-4-8/h3,5,8-9H,1-2,4,6-7H2.
What are the key properties of 1-cyclopropyl-2-(3,4-dihydro-2H-pyran-4-yl)ethanone?
1-cyclopropyl-2-(3,4-dihydro-2H-pyran-4-yl)ethanone has a molecular weight of 166.22 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3,4-dihydro-2H-pyran-4-yl)ethanone is sourced from PubChem (CID 15213566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).