1-(3,4-dihydro-2H-pyran-5-yl)-2-[1-(methylamino)cyclohexyl]ethanone

C14H23NO2 — CID 116575541

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-2-[1-(methylamino)cyclohexyl]ethanone
SMILESCNC1(CC(=O)C2=COCCC2)CCCCC1
InChIInChI=1S/C14H23NO2/c1-15-14(7-3-2-4-8-14)10-13(16)12-6-5-9-17-11-12/h11,15H,2-10H2,1H3
InChIKeyULBAOKRVXYPNIQ-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.56
Rot. Bonds4

About 1-(3,4-dihydro-2H-pyran-5-yl)-2-[1-(methylamino)cyclohexyl]ethanone

1-(3,4-dihydro-2H-pyran-5-yl)-2-[1-(methylamino)cyclohexyl]ethanone (PubChem CID 116575541) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-2-[1-(methylamino)cyclohexyl]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-2-[1-(methylamino)cyclohexyl]ethanone
PubChem CID116575541
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-2-[1-(methylamino)cyclohexyl]ethanone
SMILESCNC1(CC(=O)C2=COCCC2)CCCCC1
InChIInChI=1S/C14H23NO2/c1-15-14(7-3-2-4-8-14)10-13(16)12-6-5-9-17-11-12/h11,15H,2-10H2,1H3
InChIKeyULBAOKRVXYPNIQ-UHFFFAOYSA-N
XLogP2.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-[1-(methylamino)cyclohexyl]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-[1-(methylamino)cyclohexyl]ethanone (CID 116575541) is 1-(3,4-dihydro-2H-pyran-5-yl)-2-[1-(methylamino)cyclohexyl]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-2-[1-(methylamino)cyclohexyl]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-2-[1-(methylamino)cyclohexyl]ethanone is CNC1(CC(=O)C2=COCCC2)CCCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-2-[1-(methylamino)cyclohexyl]ethanone?
The InChIKey is ULBAOKRVXYPNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-15-14(7-3-2-4-8-14)10-13(16)12-6-5-9-17-11-12/h11,15H,2-10H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-2-[1-(methylamino)cyclohexyl]ethanone?
1-(3,4-dihydro-2H-pyran-5-yl)-2-[1-(methylamino)cyclohexyl]ethanone has a molecular weight of 237.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-5-yl)-2-[1-(methylamino)cyclohexyl]ethanone is sourced from PubChem (CID 116575541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).