2,3-dihydrofuran-5-yl-[1-(dimethylamino)-4-methylcyclohexyl]methanone

C14H23NO2 — CID 102651023

IUPAC2,3-dihydrofuran-5-yl-[1-(dimethylamino)-4-methylcyclohexyl]methanone
SMILESCC1CCC(C(=O)C2=CCCO2)(N(C)C)CC1
InChIInChI=1S/C14H23NO2/c1-11-6-8-14(9-7-11,15(2)3)13(16)12-5-4-10-17-12/h5,11H,4,6-10H2,1-3H3
InChIKeyFGEZXHXQEYIWLE-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.37
Rot. Bonds3

About 2,3-dihydrofuran-5-yl-[1-(dimethylamino)-4-methylcyclohexyl]methanone

2,3-dihydrofuran-5-yl-[1-(dimethylamino)-4-methylcyclohexyl]methanone (PubChem CID 102651023) 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)-4-methylcyclohexyl]methanone.

Molecular Properties

Compound Name2,3-dihydrofuran-5-yl-[1-(dimethylamino)-4-methylcyclohexyl]methanone
PubChem CID102651023
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2,3-dihydrofuran-5-yl-[1-(dimethylamino)-4-methylcyclohexyl]methanone
SMILESCC1CCC(C(=O)C2=CCCO2)(N(C)C)CC1
InChIInChI=1S/C14H23NO2/c1-11-6-8-14(9-7-11,15(2)3)13(16)12-5-4-10-17-12/h5,11H,4,6-10H2,1-3H3
InChIKeyFGEZXHXQEYIWLE-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
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)-4-methylcyclohexyl]methanone?
The IUPAC name of 2,3-dihydrofuran-5-yl-[1-(dimethylamino)-4-methylcyclohexyl]methanone (CID 102651023) is 2,3-dihydrofuran-5-yl-[1-(dimethylamino)-4-methylcyclohexyl]methanone.
What is the SMILES notation for 2,3-dihydrofuran-5-yl-[1-(dimethylamino)-4-methylcyclohexyl]methanone?
The canonical SMILES for 2,3-dihydrofuran-5-yl-[1-(dimethylamino)-4-methylcyclohexyl]methanone is CC1CCC(C(=O)C2=CCCO2)(N(C)C)CC1.
What is the InChIKey of 2,3-dihydrofuran-5-yl-[1-(dimethylamino)-4-methylcyclohexyl]methanone?
The InChIKey is FGEZXHXQEYIWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11-6-8-14(9-7-11,15(2)3)13(16)12-5-4-10-17-12/h5,11H,4,6-10H2,1-3H3.
What are the key properties of 2,3-dihydrofuran-5-yl-[1-(dimethylamino)-4-methylcyclohexyl]methanone?
2,3-dihydrofuran-5-yl-[1-(dimethylamino)-4-methylcyclohexyl]methanone has a molecular weight of 237.34 g/mol, XLogP of 2.37, 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)-4-methylcyclohexyl]methanone is sourced from PubChem (CID 102651023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).