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

C11H17NO2 — CID 102648426

IUPAC3,4-dihydro-2H-pyran-6-yl-(2-methylpyrrolidin-3-yl)methanone
SMILESCC1NCCC1C(=O)C1=CCCCO1
InChIInChI=1S/C11H17NO2/c1-8-9(5-6-12-8)11(13)10-4-2-3-7-14-10/h4,8-9,12H,2-3,5-7H2,1H3
InChIKeyGQKFQZHYSNRNSF-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.25
Rot. Bonds2

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

3,4-dihydro-2H-pyran-6-yl-(2-methylpyrrolidin-3-yl)methanone (PubChem CID 102648426) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(2-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(2-methylpyrrolidin-3-yl)methanone
PubChem CID102648426
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(2-methylpyrrolidin-3-yl)methanone
SMILESCC1NCCC1C(=O)C1=CCCCO1
InChIInChI=1S/C11H17NO2/c1-8-9(5-6-12-8)11(13)10-4-2-3-7-14-10/h4,8-9,12H,2-3,5-7H2,1H3
InChIKeyGQKFQZHYSNRNSF-UHFFFAOYSA-N
XLogP1.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(2-methylpyrrolidin-3-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(2-methylpyrrolidin-3-yl)methanone (CID 102648426) is 3,4-dihydro-2H-pyran-6-yl-(2-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(2-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(2-methylpyrrolidin-3-yl)methanone is CC1NCCC1C(=O)C1=CCCCO1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(2-methylpyrrolidin-3-yl)methanone?
The InChIKey is GQKFQZHYSNRNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8-9(5-6-12-8)11(13)10-4-2-3-7-14-10/h4,8-9,12H,2-3,5-7H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(2-methylpyrrolidin-3-yl)methanone?
3,4-dihydro-2H-pyran-6-yl-(2-methylpyrrolidin-3-yl)methanone has a molecular weight of 195.26 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-(2-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 102648426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).