(3-ethylpyrrolidin-3-yl)-(3-methylmorpholin-4-yl)methanone

C12H22N2O2 — CID 63138588

IUPAC(3-ethylpyrrolidin-3-yl)-(3-methylmorpholin-4-yl)methanone
SMILESCCC1(C(=O)N2CCOCC2C)CCNC1
InChIInChI=1S/C12H22N2O2/c1-3-12(4-5-13-9-12)11(15)14-6-7-16-8-10(14)2/h10,13H,3-9H2,1-2H3
InChIKeyVZYRRVITUYZGRH-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.62
Rot. Bonds2

About (3-ethylpyrrolidin-3-yl)-(3-methylmorpholin-4-yl)methanone

(3-ethylpyrrolidin-3-yl)-(3-methylmorpholin-4-yl)methanone (PubChem CID 63138588) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (3-ethylpyrrolidin-3-yl)-(3-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3-ethylpyrrolidin-3-yl)-(3-methylmorpholin-4-yl)methanone
PubChem CID63138588
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(3-ethylpyrrolidin-3-yl)-(3-methylmorpholin-4-yl)methanone
SMILESCCC1(C(=O)N2CCOCC2C)CCNC1
InChIInChI=1S/C12H22N2O2/c1-3-12(4-5-13-9-12)11(15)14-6-7-16-8-10(14)2/h10,13H,3-9H2,1-2H3
InChIKeyVZYRRVITUYZGRH-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

Analyze (3-ethylpyrrolidin-3-yl)-(3-methylmorpholin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-ethylpyrrolidin-3-yl)-(3-methylmorpholin-4-yl)methanone?
The IUPAC name of (3-ethylpyrrolidin-3-yl)-(3-methylmorpholin-4-yl)methanone (CID 63138588) is (3-ethylpyrrolidin-3-yl)-(3-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (3-ethylpyrrolidin-3-yl)-(3-methylmorpholin-4-yl)methanone?
The canonical SMILES for (3-ethylpyrrolidin-3-yl)-(3-methylmorpholin-4-yl)methanone is CCC1(C(=O)N2CCOCC2C)CCNC1.
What is the InChIKey of (3-ethylpyrrolidin-3-yl)-(3-methylmorpholin-4-yl)methanone?
The InChIKey is VZYRRVITUYZGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-12(4-5-13-9-12)11(15)14-6-7-16-8-10(14)2/h10,13H,3-9H2,1-2H3.
What are the key properties of (3-ethylpyrrolidin-3-yl)-(3-methylmorpholin-4-yl)methanone?
(3-ethylpyrrolidin-3-yl)-(3-methylmorpholin-4-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 (3-ethylpyrrolidin-3-yl)-(3-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 63138588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).