3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methanone

C10H14O2 — CID 102646980

IUPAC3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)C2=CCCCO2)CC1
InChIInChI=1S/C10H14O2/c1-10(5-6-10)9(11)8-4-2-3-7-12-8/h4H,2-3,5-7H2,1H3
InChIKeyDZZVPNAFGFESRP-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.05
Rot. Bonds2

About 3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methanone

3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methanone (PubChem CID 102646980) 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-(1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methanone
PubChem CID102646980
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)C2=CCCCO2)CC1
InChIInChI=1S/C10H14O2/c1-10(5-6-10)9(11)8-4-2-3-7-12-8/h4H,2-3,5-7H2,1H3
InChIKeyDZZVPNAFGFESRP-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
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-(1-methylcyclopropyl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methanone (CID 102646980) is 3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methanone is CC1(C(=O)C2=CCCCO2)CC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methanone?
The InChIKey is DZZVPNAFGFESRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-10(5-6-10)9(11)8-4-2-3-7-12-8/h4H,2-3,5-7H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methanone?
3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methanone has a molecular weight of 166.22 g/mol, XLogP of 2.05, 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-(1-methylcyclopropyl)methanone is sourced from PubChem (CID 102646980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).