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

C10H14O2 — CID 102646917

IUPAC3,4-dihydro-2H-pyran-6-yl-(2-methylcyclopropyl)methanone
SMILESCC1CC1C(=O)C1=CCCCO1
InChIInChI=1S/C10H14O2/c1-7-6-8(7)10(11)9-4-2-3-5-12-9/h4,7-8H,2-3,5-6H2,1H3
InChIKeyFJPYLERIAUSAME-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.91
Rot. Bonds2

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

3,4-dihydro-2H-pyran-6-yl-(2-methylcyclopropyl)methanone (PubChem CID 102646917) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(2-methylcyclopropyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(2-methylcyclopropyl)methanone
PubChem CID102646917
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(2-methylcyclopropyl)methanone
SMILESCC1CC1C(=O)C1=CCCCO1
InChIInChI=1S/C10H14O2/c1-7-6-8(7)10(11)9-4-2-3-5-12-9/h4,7-8H,2-3,5-6H2,1H3
InChIKeyFJPYLERIAUSAME-UHFFFAOYSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(2-methylcyclopropyl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(2-methylcyclopropyl)methanone (CID 102646917) is 3,4-dihydro-2H-pyran-6-yl-(2-methylcyclopropyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(2-methylcyclopropyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(2-methylcyclopropyl)methanone is CC1CC1C(=O)C1=CCCCO1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(2-methylcyclopropyl)methanone?
The InChIKey is FJPYLERIAUSAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-7-6-8(7)10(11)9-4-2-3-5-12-9/h4,7-8H,2-3,5-6H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(2-methylcyclopropyl)methanone?
3,4-dihydro-2H-pyran-6-yl-(2-methylcyclopropyl)methanone has a molecular weight of 166.22 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-(2-methylcyclopropyl)methanone is sourced from PubChem (CID 102646917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).