3,4-dihydro-2H-pyran-6-yl-(2,5-dimethylpyrrolidin-1-yl)methanone

C12H19NO2 — CID 71920394

IUPAC3,4-dihydro-2H-pyran-6-yl-(2,5-dimethylpyrrolidin-1-yl)methanone
SMILESCC1CCC(C)N1C(=O)C1=CCCCO1
InChIInChI=1S/C12H19NO2/c1-9-6-7-10(2)13(9)12(14)11-5-3-4-8-15-11/h5,9-10H,3-4,6-8H2,1-2H3
InChIKeyZKZGUBTZAXCIJO-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.08
Rot. Bonds1

About 3,4-dihydro-2H-pyran-6-yl-(2,5-dimethylpyrrolidin-1-yl)methanone

3,4-dihydro-2H-pyran-6-yl-(2,5-dimethylpyrrolidin-1-yl)methanone (PubChem CID 71920394) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(2,5-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(2,5-dimethylpyrrolidin-1-yl)methanone
PubChem CID71920394
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(2,5-dimethylpyrrolidin-1-yl)methanone
SMILESCC1CCC(C)N1C(=O)C1=CCCCO1
InChIInChI=1S/C12H19NO2/c1-9-6-7-10(2)13(9)12(14)11-5-3-4-8-15-11/h5,9-10H,3-4,6-8H2,1-2H3
InChIKeyZKZGUBTZAXCIJO-UHFFFAOYSA-N
XLogP2.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.08
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-(2,5-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(2,5-dimethylpyrrolidin-1-yl)methanone (CID 71920394) is 3,4-dihydro-2H-pyran-6-yl-(2,5-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(2,5-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(2,5-dimethylpyrrolidin-1-yl)methanone is CC1CCC(C)N1C(=O)C1=CCCCO1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(2,5-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is ZKZGUBTZAXCIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9-6-7-10(2)13(9)12(14)11-5-3-4-8-15-11/h5,9-10H,3-4,6-8H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(2,5-dimethylpyrrolidin-1-yl)methanone?
3,4-dihydro-2H-pyran-6-yl-(2,5-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 209.29 g/mol, XLogP of 2.08, 1 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-(2,5-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 71920394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).