ethoxyethane;(3R)-3-ethyl-1-methylpyrrolidine

C11H25NO — CID 177009372

IUPACethoxyethane;(3R)-3-ethyl-1-methylpyrrolidine
SMILESCCOCC.CC[C@@H]1CCN(C)C1
InChIInChI=1S/C7H15N.C4H10O/c1-3-7-4-5-8(2)6-7;1-3-5-4-2/h7H,3-6H2,1-2H3;3-4H2,1-2H3/t7-;/m1./s1
InChIKeyUBRNSOGDFOPXCR-OGFXRTJISA-N
MW187.33 g/mol
LogP2.39
Rot. Bonds3

About ethoxyethane;(3R)-3-ethyl-1-methylpyrrolidine

ethoxyethane;(3R)-3-ethyl-1-methylpyrrolidine (PubChem CID 177009372) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is ethoxyethane;(3R)-3-ethyl-1-methylpyrrolidine.

Molecular Properties

Compound Nameethoxyethane;(3R)-3-ethyl-1-methylpyrrolidine
PubChem CID177009372
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Nameethoxyethane;(3R)-3-ethyl-1-methylpyrrolidine
SMILESCCOCC.CC[C@@H]1CCN(C)C1
InChIInChI=1S/C7H15N.C4H10O/c1-3-7-4-5-8(2)6-7;1-3-5-4-2/h7H,3-6H2,1-2H3;3-4H2,1-2H3/t7-;/m1./s1
InChIKeyUBRNSOGDFOPXCR-OGFXRTJISA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-methylpyrrolidine;methane
CID 161184146
6-ethyl-1,4-dimethyl-1,4-diazocane
CID 174327849
(3R)-3-(ethoxymethyl)-1-methylpyrrolidine
CID 58134293
bis(3-ethyl-1-methylpyrrolidine);1-methylpyrrolidine
CID 161292212
4-ethyl-1-methylpiperidine;methoxymethane
CID 90698783
ethane;3-ethyl-1-methylpiperidine
CID 142833851
1-ethoxy-3-(1-methylpyrrolidin-3-yl)propan-2-ol
CID 167259963
3-ethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 65175607
4-ethyl-1-methylpiperidine;formonitrile
CID 175849532
(3R)-1,3-dimethylpyrrolidine;methoxyethane
CID 168995802
3-(cyclopropylmethyl)-1-methylpyrrolidine
CID 127006990
1-methyl-4-[(1-methylpiperidin-4-yl)methoxymethyl]piperidine
CID 142760200

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;(3R)-3-ethyl-1-methylpyrrolidine?
The IUPAC name of ethoxyethane;(3R)-3-ethyl-1-methylpyrrolidine (CID 177009372) is ethoxyethane;(3R)-3-ethyl-1-methylpyrrolidine.
What is the SMILES notation for ethoxyethane;(3R)-3-ethyl-1-methylpyrrolidine?
The canonical SMILES for ethoxyethane;(3R)-3-ethyl-1-methylpyrrolidine is CCOCC.CC[C@@H]1CCN(C)C1.
What is the InChIKey of ethoxyethane;(3R)-3-ethyl-1-methylpyrrolidine?
The InChIKey is UBRNSOGDFOPXCR-OGFXRTJISA-N. The full InChI is InChI=1S/C7H15N.C4H10O/c1-3-7-4-5-8(2)6-7;1-3-5-4-2/h7H,3-6H2,1-2H3;3-4H2,1-2H3/t7-;/m1./s1.
What are the key properties of ethoxyethane;(3R)-3-ethyl-1-methylpyrrolidine?
ethoxyethane;(3R)-3-ethyl-1-methylpyrrolidine has a molecular weight of 187.33 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;(3R)-3-ethyl-1-methylpyrrolidine is sourced from PubChem (CID 177009372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).