2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanone

C10H14O2 — CID 102646982

IUPAC2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
SMILESO=C(CC1CC1)C1=CCCCO1
InChIInChI=1S/C10H14O2/c11-9(7-8-4-5-8)10-3-1-2-6-12-10/h3,8H,1-2,4-7H2
InChIKeyXENIUTUHWAFDPD-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.05
Rot. Bonds3

About 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanone

2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanone (PubChem CID 102646982) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
PubChem CID102646982
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
SMILESO=C(CC1CC1)C1=CCCCO1
InChIInChI=1S/C10H14O2/c11-9(7-8-4-5-8)10-3-1-2-6-12-10/h3,8H,1-2,4-7H2
InChIKeyXENIUTUHWAFDPD-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
The IUPAC name of 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanone (CID 102646982) is 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanone.
What is the SMILES notation for 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
The canonical SMILES for 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanone is O=C(CC1CC1)C1=CCCCO1.
What is the InChIKey of 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
The InChIKey is XENIUTUHWAFDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c11-9(7-8-4-5-8)10-3-1-2-6-12-10/h3,8H,1-2,4-7H2.
What are the key properties of 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanone has a molecular weight of 166.22 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanone is sourced from PubChem (CID 102646982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).