(3-ethylmorpholin-4-yl)-(4-methylpyrrolidin-3-yl)methanone

C12H22N2O2 — CID 63714102

IUPAC(3-ethylmorpholin-4-yl)-(4-methylpyrrolidin-3-yl)methanone
SMILESCCC1COCCN1C(=O)C1CNCC1C
InChIInChI=1S/C12H22N2O2/c1-3-10-8-16-5-4-14(10)12(15)11-7-13-6-9(11)2/h9-11,13H,3-8H2,1-2H3
InChIKeyFOFJSQFZFNOTFJ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.48
Rot. Bonds2

About (3-ethylmorpholin-4-yl)-(4-methylpyrrolidin-3-yl)methanone

(3-ethylmorpholin-4-yl)-(4-methylpyrrolidin-3-yl)methanone (PubChem CID 63714102) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (3-ethylmorpholin-4-yl)-(4-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(3-ethylmorpholin-4-yl)-(4-methylpyrrolidin-3-yl)methanone
PubChem CID63714102
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(3-ethylmorpholin-4-yl)-(4-methylpyrrolidin-3-yl)methanone
SMILESCCC1COCCN1C(=O)C1CNCC1C
InChIInChI=1S/C12H22N2O2/c1-3-10-8-16-5-4-14(10)12(15)11-7-13-6-9(11)2/h9-11,13H,3-8H2,1-2H3
InChIKeyFOFJSQFZFNOTFJ-UHFFFAOYSA-N
XLogP0.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-ethyl-2-methylmorpholin-4-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 63714753
(4-methylpyrrolidin-3-yl)-morpholin-4-ylmethanone
CID 63720609
(3-ethylmorpholin-4-yl)-[4-(methylamino)oxolan-3-yl]methanone
CID 66266572
3-ethylmorpholine-4-carbonyl chloride
CID 79887430
[2-(hydroxymethyl)piperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
CID 63715085
(4-aminocyclohexyl)-(3-ethylmorpholin-4-yl)methanone
CID 60847443
cis-(1S,3R)-3-[(3R)-3-ethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 98549374
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
(5-amino-2,4-dimethylcyclohexyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 102706931
(3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone
CID 107356029
1-(3-ethylmorpholin-4-yl)but-2-en-1-one
CID 78966287
2-amino-1-(3-ethylmorpholin-4-yl)propan-1-one
CID 43613241

Frequently Asked Questions

What is the IUPAC name of (3-ethylmorpholin-4-yl)-(4-methylpyrrolidin-3-yl)methanone?
The IUPAC name of (3-ethylmorpholin-4-yl)-(4-methylpyrrolidin-3-yl)methanone (CID 63714102) is (3-ethylmorpholin-4-yl)-(4-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (3-ethylmorpholin-4-yl)-(4-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for (3-ethylmorpholin-4-yl)-(4-methylpyrrolidin-3-yl)methanone is CCC1COCCN1C(=O)C1CNCC1C.
What is the InChIKey of (3-ethylmorpholin-4-yl)-(4-methylpyrrolidin-3-yl)methanone?
The InChIKey is FOFJSQFZFNOTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-10-8-16-5-4-14(10)12(15)11-7-13-6-9(11)2/h9-11,13H,3-8H2,1-2H3.
What are the key properties of (3-ethylmorpholin-4-yl)-(4-methylpyrrolidin-3-yl)methanone?
(3-ethylmorpholin-4-yl)-(4-methylpyrrolidin-3-yl)methanone has a molecular weight of 226.32 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylmorpholin-4-yl)-(4-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 63714102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).