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

C9H12O2 — CID 102646804

IUPACcyclopropyl(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESO=C(C1=CCCCO1)C1CC1
InChIInChI=1S/C9H12O2/c10-9(7-4-5-7)8-3-1-2-6-11-8/h3,7H,1-2,4-6H2
InChIKeyONHURFKVFPUMQR-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.66
Rot. Bonds2

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

cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methanone (PubChem CID 102646804) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methanone.

Molecular Properties

Compound Namecyclopropyl(3,4-dihydro-2H-pyran-6-yl)methanone
PubChem CID102646804
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Namecyclopropyl(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESO=C(C1=CCCCO1)C1CC1
InChIInChI=1S/C9H12O2/c10-9(7-4-5-7)8-3-1-2-6-11-8/h3,7H,1-2,4-6H2
InChIKeyONHURFKVFPUMQR-UHFFFAOYSA-N
XLogP1.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methanone?
The IUPAC name of cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methanone (CID 102646804) is cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methanone.
What is the SMILES notation for cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methanone?
The canonical SMILES for cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methanone is O=C(C1=CCCCO1)C1CC1.
What is the InChIKey of cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methanone?
The InChIKey is ONHURFKVFPUMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c10-9(7-4-5-7)8-3-1-2-6-11-8/h3,7H,1-2,4-6H2.
What are the key properties of cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methanone?
cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methanone has a molecular weight of 152.19 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 cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methanone is sourced from PubChem (CID 102646804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).