2,3-dihydrofuran-5-yl-[1-(dimethylamino)cyclohexyl]methanone

C13H21NO2 — CID 102651022

IUPAC2,3-dihydrofuran-5-yl-[1-(dimethylamino)cyclohexyl]methanone
SMILESCN(C)C1(C(=O)C2=CCCO2)CCCCC1
InChIInChI=1S/C13H21NO2/c1-14(2)13(8-4-3-5-9-13)12(15)11-7-6-10-16-11/h7H,3-6,8-10H2,1-2H3
InChIKeyCUQHLVYZDJLAFK-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.12
Rot. Bonds3

About 2,3-dihydrofuran-5-yl-[1-(dimethylamino)cyclohexyl]methanone

2,3-dihydrofuran-5-yl-[1-(dimethylamino)cyclohexyl]methanone (PubChem CID 102651022) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2,3-dihydrofuran-5-yl-[1-(dimethylamino)cyclohexyl]methanone.

Molecular Properties

Compound Name2,3-dihydrofuran-5-yl-[1-(dimethylamino)cyclohexyl]methanone
PubChem CID102651022
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2,3-dihydrofuran-5-yl-[1-(dimethylamino)cyclohexyl]methanone
SMILESCN(C)C1(C(=O)C2=CCCO2)CCCCC1
InChIInChI=1S/C13H21NO2/c1-14(2)13(8-4-3-5-9-13)12(15)11-7-6-10-16-11/h7H,3-6,8-10H2,1-2H3
InChIKeyCUQHLVYZDJLAFK-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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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-5-yl-[1-(dimethylamino)cyclohexyl]methanone?
The IUPAC name of 2,3-dihydrofuran-5-yl-[1-(dimethylamino)cyclohexyl]methanone (CID 102651022) is 2,3-dihydrofuran-5-yl-[1-(dimethylamino)cyclohexyl]methanone.
What is the SMILES notation for 2,3-dihydrofuran-5-yl-[1-(dimethylamino)cyclohexyl]methanone?
The canonical SMILES for 2,3-dihydrofuran-5-yl-[1-(dimethylamino)cyclohexyl]methanone is CN(C)C1(C(=O)C2=CCCO2)CCCCC1.
What is the InChIKey of 2,3-dihydrofuran-5-yl-[1-(dimethylamino)cyclohexyl]methanone?
The InChIKey is CUQHLVYZDJLAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-14(2)13(8-4-3-5-9-13)12(15)11-7-6-10-16-11/h7H,3-6,8-10H2,1-2H3.
What are the key properties of 2,3-dihydrofuran-5-yl-[1-(dimethylamino)cyclohexyl]methanone?
2,3-dihydrofuran-5-yl-[1-(dimethylamino)cyclohexyl]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 2,3-dihydrofuran-5-yl-[1-(dimethylamino)cyclohexyl]methanone is sourced from PubChem (CID 102651022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).