2-[1-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-yl]cyclohexan-1-one

C15H27NO3 — CID 79546607

IUPAC2-[1-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-yl]cyclohexan-1-one
SMILESCOCCOCCN1CCCC1C1CCCCC1=O
InChIInChI=1S/C15H27NO3/c1-18-11-12-19-10-9-16-8-4-6-14(16)13-5-2-3-7-15(13)17/h13-14H,2-12H2,1H3
InChIKeyKNOAHGXUTDCQIU-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.87
Rot. Bonds7

About 2-[1-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-yl]cyclohexan-1-one

2-[1-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-yl]cyclohexan-1-one (PubChem CID 79546607) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-[1-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-yl]cyclohexan-1-one
PubChem CID79546607
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-[1-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-yl]cyclohexan-1-one
SMILESCOCCOCCN1CCCC1C1CCCCC1=O
InChIInChI=1S/C15H27NO3/c1-18-11-12-19-10-9-16-8-4-6-14(16)13-5-2-3-7-15(13)17/h13-14H,2-12H2,1H3
InChIKeyKNOAHGXUTDCQIU-UHFFFAOYSA-N
XLogP1.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 103409847
2-[1-(2-methoxyethyl)piperidin-2-yl]cyclohexan-1-one
CID 79553024
2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-2-yl]cyclohexan-1-one
CID 79553801
2-[1-(2-ethoxyethyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79543479
methyl 4-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]butanoate
CID 79548843
methyl 3-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]propanoate
CID 79544027
2-[1-(2-methylpropyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79548618
2-(1-octylpiperidin-2-yl)cyclohexan-1-one
CID 79539887
2-[1-(3-methylbut-3-enyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 114472642
2-(1-hexylpiperidin-2-yl)cyclopentan-1-one
CID 79545160
2-(1-ethylpyrrolidin-2-yl)cyclopentan-1-one
CID 79543714
2-[1-(2-hydroxypropyl)piperidin-2-yl]cyclohexan-1-one
CID 79553644

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-yl]cyclohexan-1-one (CID 79546607) is 2-[1-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-yl]cyclohexan-1-one is COCCOCCN1CCCC1C1CCCCC1=O.
What is the InChIKey of 2-[1-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-yl]cyclohexan-1-one?
The InChIKey is KNOAHGXUTDCQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-18-11-12-19-10-9-16-8-4-6-14(16)13-5-2-3-7-15(13)17/h13-14H,2-12H2,1H3.
What are the key properties of 2-[1-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-yl]cyclohexan-1-one?
2-[1-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-yl]cyclohexan-1-one has a molecular weight of 269.38 g/mol, XLogP of 1.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 79546607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).