2-[4-[(3-ethylcyclohexyl)methyl]morpholin-3-yl]cyclopentan-1-one

C18H31NO2 — CID 86806725

IUPAC2-[4-[(3-ethylcyclohexyl)methyl]morpholin-3-yl]cyclopentan-1-one
SMILESCCC1CCCC(CN2CCOCC2C2CCCC2=O)C1
InChIInChI=1S/C18H31NO2/c1-2-14-5-3-6-15(11-14)12-19-9-10-21-13-17(19)16-7-4-8-18(16)20/h14-17H,2-13H2,1H3
InChIKeyXEODZTCLBLILDT-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.27
Rot. Bonds4

About 2-[4-[(3-ethylcyclohexyl)methyl]morpholin-3-yl]cyclopentan-1-one

2-[4-[(3-ethylcyclohexyl)methyl]morpholin-3-yl]cyclopentan-1-one (PubChem CID 86806725) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-[4-[(3-ethylcyclohexyl)methyl]morpholin-3-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[4-[(3-ethylcyclohexyl)methyl]morpholin-3-yl]cyclopentan-1-one
PubChem CID86806725
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name2-[4-[(3-ethylcyclohexyl)methyl]morpholin-3-yl]cyclopentan-1-one
SMILESCCC1CCCC(CN2CCOCC2C2CCCC2=O)C1
InChIInChI=1S/C18H31NO2/c1-2-14-5-3-6-15(11-14)12-19-9-10-21-13-17(19)16-7-4-8-18(16)20/h14-17H,2-13H2,1H3
InChIKeyXEODZTCLBLILDT-UHFFFAOYSA-N
XLogP3.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-ethylcyclohexyl)methyl]morpholin-3-yl]cyclopentan-1-one?
The IUPAC name of 2-[4-[(3-ethylcyclohexyl)methyl]morpholin-3-yl]cyclopentan-1-one (CID 86806725) is 2-[4-[(3-ethylcyclohexyl)methyl]morpholin-3-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[4-[(3-ethylcyclohexyl)methyl]morpholin-3-yl]cyclopentan-1-one?
The canonical SMILES for 2-[4-[(3-ethylcyclohexyl)methyl]morpholin-3-yl]cyclopentan-1-one is CCC1CCCC(CN2CCOCC2C2CCCC2=O)C1.
What is the InChIKey of 2-[4-[(3-ethylcyclohexyl)methyl]morpholin-3-yl]cyclopentan-1-one?
The InChIKey is XEODZTCLBLILDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-2-14-5-3-6-15(11-14)12-19-9-10-21-13-17(19)16-7-4-8-18(16)20/h14-17H,2-13H2,1H3.
What are the key properties of 2-[4-[(3-ethylcyclohexyl)methyl]morpholin-3-yl]cyclopentan-1-one?
2-[4-[(3-ethylcyclohexyl)methyl]morpholin-3-yl]cyclopentan-1-one has a molecular weight of 293.45 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-ethylcyclohexyl)methyl]morpholin-3-yl]cyclopentan-1-one is sourced from PubChem (CID 86806725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).