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

C14H23NO2 — CID 102651025

IUPAC2,3-dihydrofuran-5-yl-[1-(dimethylamino)cycloheptyl]methanone
SMILESCN(C)C1(C(=O)C2=CCCO2)CCCCCC1
InChIInChI=1S/C14H23NO2/c1-15(2)14(9-5-3-4-6-10-14)13(16)12-8-7-11-17-12/h8H,3-7,9-11H2,1-2H3
InChIKeyHLSZSAGKXOUBFF-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.51
Rot. Bonds3

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

2,3-dihydrofuran-5-yl-[1-(dimethylamino)cycloheptyl]methanone (PubChem CID 102651025) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2,3-dihydrofuran-5-yl-[1-(dimethylamino)cycloheptyl]methanone.

Molecular Properties

Compound Name2,3-dihydrofuran-5-yl-[1-(dimethylamino)cycloheptyl]methanone
PubChem CID102651025
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2,3-dihydrofuran-5-yl-[1-(dimethylamino)cycloheptyl]methanone
SMILESCN(C)C1(C(=O)C2=CCCO2)CCCCCC1
InChIInChI=1S/C14H23NO2/c1-15(2)14(9-5-3-4-6-10-14)13(16)12-8-7-11-17-12/h8H,3-7,9-11H2,1-2H3
InChIKeyHLSZSAGKXOUBFF-UHFFFAOYSA-N
XLogP2.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 102646944
CID 102646944
CID 102646947
CID 102646947
CID 102646948
CID 102646948
CID 102646949
CID 102646949
CID 102651018
CID 102651018
CID 102651019
CID 102651019
CID 102651022
CID 102651022
CID 102651023
CID 102651023
CID 102651024
CID 102651024
CID 113720292
CID 113720292
CID 113720294
CID 113720294
CID 130573839
CID 130573839

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-5-yl-[1-(dimethylamino)cycloheptyl]methanone?
The IUPAC name of 2,3-dihydrofuran-5-yl-[1-(dimethylamino)cycloheptyl]methanone (CID 102651025) is 2,3-dihydrofuran-5-yl-[1-(dimethylamino)cycloheptyl]methanone.
What is the SMILES notation for 2,3-dihydrofuran-5-yl-[1-(dimethylamino)cycloheptyl]methanone?
The canonical SMILES for 2,3-dihydrofuran-5-yl-[1-(dimethylamino)cycloheptyl]methanone is CN(C)C1(C(=O)C2=CCCO2)CCCCCC1.
What is the InChIKey of 2,3-dihydrofuran-5-yl-[1-(dimethylamino)cycloheptyl]methanone?
The InChIKey is HLSZSAGKXOUBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-15(2)14(9-5-3-4-6-10-14)13(16)12-8-7-11-17-12/h8H,3-7,9-11H2,1-2H3.
What are the key properties of 2,3-dihydrofuran-5-yl-[1-(dimethylamino)cycloheptyl]methanone?
2,3-dihydrofuran-5-yl-[1-(dimethylamino)cycloheptyl]methanone has a molecular weight of 237.34 g/mol, XLogP of 2.51, 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)cycloheptyl]methanone is sourced from PubChem (CID 102651025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).