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

C12H22N2O2 — CID 63138991

IUPAC(2-ethylmorpholin-4-yl)-(3-methylpyrrolidin-3-yl)methanone
SMILESCCC1CN(C(=O)C2(C)CCNC2)CCO1
InChIInChI=1S/C12H22N2O2/c1-3-10-8-14(6-7-16-10)11(15)12(2)4-5-13-9-12/h10,13H,3-9H2,1-2H3
InChIKeyNTXJQLGMFHFVIV-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.62
Rot. Bonds2

About (2-ethylmorpholin-4-yl)-(3-methylpyrrolidin-3-yl)methanone

(2-ethylmorpholin-4-yl)-(3-methylpyrrolidin-3-yl)methanone (PubChem CID 63138991) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (2-ethylmorpholin-4-yl)-(3-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(2-ethylmorpholin-4-yl)-(3-methylpyrrolidin-3-yl)methanone
PubChem CID63138991
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(2-ethylmorpholin-4-yl)-(3-methylpyrrolidin-3-yl)methanone
SMILESCCC1CN(C(=O)C2(C)CCNC2)CCO1
InChIInChI=1S/C12H22N2O2/c1-3-10-8-14(6-7-16-10)11(15)12(2)4-5-13-9-12/h10,13H,3-9H2,1-2H3
InChIKeyNTXJQLGMFHFVIV-UHFFFAOYSA-N
XLogP0.62
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 ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylmorpholin-4-yl)-(4-ethylpiperidin-4-yl)methanone
CID 63128124
[2-(hydroxymethyl)morpholin-4-yl]-(3-methylpiperidin-3-yl)methanone;hydrochloride
CID 119945377
(1-aminocyclopropyl)-(2-ethylmorpholin-4-yl)methanone
CID 65466783
(2-methylmorpholin-4-yl)-(3-methylpiperidin-3-yl)methanone;hydrochloride
CID 119944078
2-ethylmorpholine-4-carboxylic acid
CID 121455686
[2-(methylaminomethyl)morpholin-4-yl]-(1-methylcyclohexyl)methanone
CID 106828083
(3,4-dimethylpyrrolidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 79180510
1-(2-ethylmorpholin-4-yl)-2-piperazin-1-ylethanone
CID 43563037
azetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone
CID 130547014
(4-ethylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 63138776
(3-hydroxypiperidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 63138941
1-(2-ethylmorpholin-4-yl)-2-morpholin-2-ylethanone
CID 66432993

Frequently Asked Questions

What is the IUPAC name of (2-ethylmorpholin-4-yl)-(3-methylpyrrolidin-3-yl)methanone?
The IUPAC name of (2-ethylmorpholin-4-yl)-(3-methylpyrrolidin-3-yl)methanone (CID 63138991) is (2-ethylmorpholin-4-yl)-(3-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (2-ethylmorpholin-4-yl)-(3-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for (2-ethylmorpholin-4-yl)-(3-methylpyrrolidin-3-yl)methanone is CCC1CN(C(=O)C2(C)CCNC2)CCO1.
What is the InChIKey of (2-ethylmorpholin-4-yl)-(3-methylpyrrolidin-3-yl)methanone?
The InChIKey is NTXJQLGMFHFVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-10-8-14(6-7-16-10)11(15)12(2)4-5-13-9-12/h10,13H,3-9H2,1-2H3.
What are the key properties of (2-ethylmorpholin-4-yl)-(3-methylpyrrolidin-3-yl)methanone?
(2-ethylmorpholin-4-yl)-(3-methylpyrrolidin-3-yl)methanone has a molecular weight of 226.32 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylmorpholin-4-yl)-(3-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 63138991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).