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

C15H23NO2 — CID 102646945

IUPAC3,4-dihydro-2H-pyran-6-yl-(1-pyrrolidin-1-ylcyclopentyl)methanone
SMILESO=C(C1=CCCCO1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C15H23NO2/c17-14(13-7-1-6-12-18-13)15(8-2-3-9-15)16-10-4-5-11-16/h7H,1-6,8-12H2
InChIKeyLHFWABMJSCKXCU-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.66
Rot. Bonds3

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

3,4-dihydro-2H-pyran-6-yl-(1-pyrrolidin-1-ylcyclopentyl)methanone (PubChem CID 102646945) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(1-pyrrolidin-1-ylcyclopentyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(1-pyrrolidin-1-ylcyclopentyl)methanone
PubChem CID102646945
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(1-pyrrolidin-1-ylcyclopentyl)methanone
SMILESO=C(C1=CCCCO1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C15H23NO2/c17-14(13-7-1-6-12-18-13)15(8-2-3-9-15)16-10-4-5-11-16/h7H,1-6,8-12H2
InChIKeyLHFWABMJSCKXCU-UHFFFAOYSA-N
XLogP2.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 102646939
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-one
CID 102646943
3,4-dihydro-2H-pyran-6-yl-[1-(dimethylamino)cyclopentyl]methanone
CID 102646944
3,4-dihydro-2H-pyran-6-yl-(1-piperidin-1-ylcyclopentyl)methanone
CID 102646946
3,4-dihydro-2H-pyran-6-yl-[1-(dimethylamino)cyclohexyl]methanone
CID 102646947
1-(2,3-Dihydrofuran-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 102651012
1-(2,3-Dihydrofuran-5-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-one
CID 102651017
2,3-Dihydrofuran-5-yl-[1-(dimethylamino)cyclopentyl]methanone
CID 102651018
[1-(Diethylamino)cyclopentyl]-(2,3-dihydrofuran-5-yl)methanone
CID 102651019
2,3-Dihydrofuran-5-yl-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 102651020
2,3-Dihydrofuran-5-yl-(1-morpholin-4-ylcyclopentyl)methanone
CID 102651021
2,3-Dihydrofuran-5-yl-[1-(dimethylamino)cyclohexyl]methanone
CID 102651022

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(1-pyrrolidin-1-ylcyclopentyl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(1-pyrrolidin-1-ylcyclopentyl)methanone (CID 102646945) is 3,4-dihydro-2H-pyran-6-yl-(1-pyrrolidin-1-ylcyclopentyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(1-pyrrolidin-1-ylcyclopentyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(1-pyrrolidin-1-ylcyclopentyl)methanone is O=C(C1=CCCCO1)C1(N2CCCC2)CCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(1-pyrrolidin-1-ylcyclopentyl)methanone?
The InChIKey is LHFWABMJSCKXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c17-14(13-7-1-6-12-18-13)15(8-2-3-9-15)16-10-4-5-11-16/h7H,1-6,8-12H2.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(1-pyrrolidin-1-ylcyclopentyl)methanone?
3,4-dihydro-2H-pyran-6-yl-(1-pyrrolidin-1-ylcyclopentyl)methanone has a molecular weight of 249.35 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-(1-pyrrolidin-1-ylcyclopentyl)methanone is sourced from PubChem (CID 102646945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).