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

C12H19NO2 — CID 130573839

IUPAC2,3-dihydrofuran-5-yl-[1-(methylamino)cyclohexyl]methanone
SMILESCNC1(C(=O)C2=CCCO2)CCCCC1
InChIInChI=1S/C12H19NO2/c1-13-12(7-3-2-4-8-12)11(14)10-6-5-9-15-10/h6,13H,2-5,7-9H2,1H3
InChIKeyRZSQZQPLDOKYFA-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.78
Rot. Bonds3

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

2,3-dihydrofuran-5-yl-[1-(methylamino)cyclohexyl]methanone (PubChem CID 130573839) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2,3-dihydrofuran-5-yl-[1-(methylamino)cyclohexyl]methanone.

Molecular Properties

Compound Name2,3-dihydrofuran-5-yl-[1-(methylamino)cyclohexyl]methanone
PubChem CID130573839
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2,3-dihydrofuran-5-yl-[1-(methylamino)cyclohexyl]methanone
SMILESCNC1(C(=O)C2=CCCO2)CCCCC1
InChIInChI=1S/C12H19NO2/c1-13-12(7-3-2-4-8-12)11(14)10-6-5-9-15-10/h6,13H,2-5,7-9H2,1H3
InChIKeyRZSQZQPLDOKYFA-UHFFFAOYSA-N
XLogP1.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-5-yl-[1-(methylamino)cyclohexyl]methanone?
The IUPAC name of 2,3-dihydrofuran-5-yl-[1-(methylamino)cyclohexyl]methanone (CID 130573839) is 2,3-dihydrofuran-5-yl-[1-(methylamino)cyclohexyl]methanone.
What is the SMILES notation for 2,3-dihydrofuran-5-yl-[1-(methylamino)cyclohexyl]methanone?
The canonical SMILES for 2,3-dihydrofuran-5-yl-[1-(methylamino)cyclohexyl]methanone is CNC1(C(=O)C2=CCCO2)CCCCC1.
What is the InChIKey of 2,3-dihydrofuran-5-yl-[1-(methylamino)cyclohexyl]methanone?
The InChIKey is RZSQZQPLDOKYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-13-12(7-3-2-4-8-12)11(14)10-6-5-9-15-10/h6,13H,2-5,7-9H2,1H3.
What are the key properties of 2,3-dihydrofuran-5-yl-[1-(methylamino)cyclohexyl]methanone?
2,3-dihydrofuran-5-yl-[1-(methylamino)cyclohexyl]methanone has a molecular weight of 209.29 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-5-yl-[1-(methylamino)cyclohexyl]methanone is sourced from PubChem (CID 130573839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).