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

C12H19NO2 — CID 71925393

IUPAC3,4-dihydro-2H-pyran-6-yl-(3,3-dimethylpyrrolidin-1-yl)methanone
SMILESCC1(C)CCN(C(=O)C2=CCCCO2)C1
InChIInChI=1S/C12H19NO2/c1-12(2)6-7-13(9-12)11(14)10-5-3-4-8-15-10/h5H,3-4,6-9H2,1-2H3
InChIKeyBBJXKZCSTXGUAP-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.94
Rot. Bonds1

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

3,4-dihydro-2H-pyran-6-yl-(3,3-dimethylpyrrolidin-1-yl)methanone (PubChem CID 71925393) 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-(3,3-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(3,3-dimethylpyrrolidin-1-yl)methanone
PubChem CID71925393
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(3,3-dimethylpyrrolidin-1-yl)methanone
SMILESCC1(C)CCN(C(=O)C2=CCCCO2)C1
InChIInChI=1S/C12H19NO2/c1-12(2)6-7-13(9-12)11(14)10-5-3-4-8-15-10/h5H,3-4,6-9H2,1-2H3
InChIKeyBBJXKZCSTXGUAP-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
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-(3,3-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(3,3-dimethylpyrrolidin-1-yl)methanone (CID 71925393) is 3,4-dihydro-2H-pyran-6-yl-(3,3-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(3,3-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(3,3-dimethylpyrrolidin-1-yl)methanone is CC1(C)CCN(C(=O)C2=CCCCO2)C1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(3,3-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is BBJXKZCSTXGUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(2)6-7-13(9-12)11(14)10-5-3-4-8-15-10/h5H,3-4,6-9H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(3,3-dimethylpyrrolidin-1-yl)methanone?
3,4-dihydro-2H-pyran-6-yl-(3,3-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 209.29 g/mol, XLogP of 1.94, 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-(3,3-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 71925393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).