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

C12H19NO2 — CID 102648483

IUPAC3,4-dihydro-2H-pyran-6-yl-(2-ethylpyrrolidin-2-yl)methanone
SMILESCCC1(C(=O)C2=CCCCO2)CCCN1
InChIInChI=1S/C12H19NO2/c1-2-12(7-5-8-13-12)11(14)10-6-3-4-9-15-10/h6,13H,2-5,7-9H2,1H3
InChIKeyLWAKWKHLELEWMQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.78
Rot. Bonds3

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

3,4-dihydro-2H-pyran-6-yl-(2-ethylpyrrolidin-2-yl)methanone (PubChem CID 102648483) 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-ethylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(2-ethylpyrrolidin-2-yl)methanone
PubChem CID102648483
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(2-ethylpyrrolidin-2-yl)methanone
SMILESCCC1(C(=O)C2=CCCCO2)CCCN1
InChIInChI=1S/C12H19NO2/c1-2-12(7-5-8-13-12)11(14)10-6-3-4-9-15-10/h6,13H,2-5,7-9H2,1H3
InChIKeyLWAKWKHLELEWMQ-UHFFFAOYSA-N
XLogP1.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.78
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-ethylpyrrolidin-2-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(2-ethylpyrrolidin-2-yl)methanone (CID 102648483) is 3,4-dihydro-2H-pyran-6-yl-(2-ethylpyrrolidin-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(2-ethylpyrrolidin-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(2-ethylpyrrolidin-2-yl)methanone is CCC1(C(=O)C2=CCCCO2)CCCN1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(2-ethylpyrrolidin-2-yl)methanone?
The InChIKey is LWAKWKHLELEWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-12(7-5-8-13-12)11(14)10-6-3-4-9-15-10/h6,13H,2-5,7-9H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(2-ethylpyrrolidin-2-yl)methanone?
3,4-dihydro-2H-pyran-6-yl-(2-ethylpyrrolidin-2-yl)methanone has a molecular weight of 209.29 g/mol, XLogP of 1.78, 3 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-ethylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 102648483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).