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

C13H21NO2 — CID 106976824

IUPAC3,4-dihydro-2H-pyran-6-yl-(2-propylpyrrolidin-2-yl)methanone
SMILESCCCC1(C(=O)C2=CCCCO2)CCCN1
InChIInChI=1S/C13H21NO2/c1-2-7-13(8-5-9-14-13)12(15)11-6-3-4-10-16-11/h6,14H,2-5,7-10H2,1H3
InChIKeyPMCWEGPKHMSCOK-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.17
Rot. Bonds4

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

3,4-dihydro-2H-pyran-6-yl-(2-propylpyrrolidin-2-yl)methanone (PubChem CID 106976824) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(2-propylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(2-propylpyrrolidin-2-yl)methanone
PubChem CID106976824
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(2-propylpyrrolidin-2-yl)methanone
SMILESCCCC1(C(=O)C2=CCCCO2)CCCN1
InChIInChI=1S/C13H21NO2/c1-2-7-13(8-5-9-14-13)12(15)11-6-3-4-10-16-11/h6,14H,2-5,7-10H2,1H3
InChIKeyPMCWEGPKHMSCOK-UHFFFAOYSA-N
XLogP2.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.17
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-propylpyrrolidin-2-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(2-propylpyrrolidin-2-yl)methanone (CID 106976824) is 3,4-dihydro-2H-pyran-6-yl-(2-propylpyrrolidin-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(2-propylpyrrolidin-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(2-propylpyrrolidin-2-yl)methanone is CCCC1(C(=O)C2=CCCCO2)CCCN1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(2-propylpyrrolidin-2-yl)methanone?
The InChIKey is PMCWEGPKHMSCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-2-7-13(8-5-9-14-13)12(15)11-6-3-4-10-16-11/h6,14H,2-5,7-10H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(2-propylpyrrolidin-2-yl)methanone?
3,4-dihydro-2H-pyran-6-yl-(2-propylpyrrolidin-2-yl)methanone has a molecular weight of 223.32 g/mol, XLogP of 2.17, 4 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-propylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 106976824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).