3,4-dihydro-2H-pyran-6-yl-[1-(dimethylamino)cyclopentyl]methanone

C13H21NO2 — CID 102646944

IUPAC3,4-dihydro-2H-pyran-6-yl-[1-(dimethylamino)cyclopentyl]methanone
SMILESCN(C)C1(C(=O)C2=CCCCO2)CCCC1
InChIInChI=1S/C13H21NO2/c1-14(2)13(8-4-5-9-13)12(15)11-7-3-6-10-16-11/h7H,3-6,8-10H2,1-2H3
InChIKeySJVNAXWZKVBJTF-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.12
Rot. Bonds3

About 3,4-dihydro-2H-pyran-6-yl-[1-(dimethylamino)cyclopentyl]methanone

3,4-dihydro-2H-pyran-6-yl-[1-(dimethylamino)cyclopentyl]methanone (PubChem CID 102646944) 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-[1-(dimethylamino)cyclopentyl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-[1-(dimethylamino)cyclopentyl]methanone
PubChem CID102646944
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3,4-dihydro-2H-pyran-6-yl-[1-(dimethylamino)cyclopentyl]methanone
SMILESCN(C)C1(C(=O)C2=CCCCO2)CCCC1
InChIInChI=1S/C13H21NO2/c1-14(2)13(8-4-5-9-13)12(15)11-7-3-6-10-16-11/h7H,3-6,8-10H2,1-2H3
InChIKeySJVNAXWZKVBJTF-UHFFFAOYSA-N
XLogP2.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-methylbutan-1-one
CID 102646937
1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-ethylbutan-1-one
CID 102646941
3,4-dihydro-2H-pyran-6-yl-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 102646945
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
3,4-dihydro-2H-pyran-6-yl-[1-(dimethylamino)-4-methylcyclohexyl]methanone
CID 102646948
3,4-dihydro-2H-pyran-6-yl-[1-(dimethylamino)cycloheptyl]methanone
CID 102646949
(1-aminocyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648307
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

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-[1-(dimethylamino)cyclopentyl]methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-[1-(dimethylamino)cyclopentyl]methanone (CID 102646944) is 3,4-dihydro-2H-pyran-6-yl-[1-(dimethylamino)cyclopentyl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-[1-(dimethylamino)cyclopentyl]methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-[1-(dimethylamino)cyclopentyl]methanone is CN(C)C1(C(=O)C2=CCCCO2)CCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-[1-(dimethylamino)cyclopentyl]methanone?
The InChIKey is SJVNAXWZKVBJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-14(2)13(8-4-5-9-13)12(15)11-7-3-6-10-16-11/h7H,3-6,8-10H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-[1-(dimethylamino)cyclopentyl]methanone?
3,4-dihydro-2H-pyran-6-yl-[1-(dimethylamino)cyclopentyl]methanone has a molecular weight of 223.32 g/mol, XLogP of 2.12, 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-(dimethylamino)cyclopentyl]methanone is sourced from PubChem (CID 102646944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).