1-(3,4-dihydro-2H-pyran-6-yl)-3-pyrrolidin-3-ylpropan-1-one

C12H19NO2 — CID 102648476

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-3-pyrrolidin-3-ylpropan-1-one
SMILESO=C(CCC1CCNC1)C1=CCCCO1
InChIInChI=1S/C12H19NO2/c14-11(12-3-1-2-8-15-12)5-4-10-6-7-13-9-10/h3,10,13H,1-2,4-9H2
InChIKeyWEFDBFMTPVREMM-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.64
Rot. Bonds4

About 1-(3,4-dihydro-2H-pyran-6-yl)-3-pyrrolidin-3-ylpropan-1-one

1-(3,4-dihydro-2H-pyran-6-yl)-3-pyrrolidin-3-ylpropan-1-one (PubChem CID 102648476) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-3-pyrrolidin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-3-pyrrolidin-3-ylpropan-1-one
PubChem CID102648476
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-3-pyrrolidin-3-ylpropan-1-one
SMILESO=C(CCC1CCNC1)C1=CCCCO1
InChIInChI=1S/C12H19NO2/c14-11(12-3-1-2-8-15-12)5-4-10-6-7-13-9-10/h3,10,13H,1-2,4-9H2
InChIKeyWEFDBFMTPVREMM-UHFFFAOYSA-N
XLogP1.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-pyrrolidin-3-ylpropan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-pyrrolidin-3-ylpropan-1-one (CID 102648476) is 1-(3,4-dihydro-2H-pyran-6-yl)-3-pyrrolidin-3-ylpropan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-3-pyrrolidin-3-ylpropan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-3-pyrrolidin-3-ylpropan-1-one is O=C(CCC1CCNC1)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-3-pyrrolidin-3-ylpropan-1-one?
The InChIKey is WEFDBFMTPVREMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c14-11(12-3-1-2-8-15-12)5-4-10-6-7-13-9-10/h3,10,13H,1-2,4-9H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-3-pyrrolidin-3-ylpropan-1-one?
1-(3,4-dihydro-2H-pyran-6-yl)-3-pyrrolidin-3-ylpropan-1-one has a molecular weight of 209.29 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-3-pyrrolidin-3-ylpropan-1-one is sourced from PubChem (CID 102648476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).