morpholin-4-yl-[(2S)-1-[[(2R)-oxiran-2-yl]methyl]pyrrolidin-2-yl]methanone

C12H20N2O3 — CID 97181537

IUPACmorpholin-4-yl-[(2S)-1-[[(2R)-oxiran-2-yl]methyl]pyrrolidin-2-yl]methanone
SMILESO=C([C@@H]1CCCN1C[C@@H]1CO1)N1CCOCC1
InChIInChI=1S/C12H20N2O3/c15-12(13-4-6-16-7-5-13)11-2-1-3-14(11)8-10-9-17-10/h10-11H,1-9H2/t10-,11+/m1/s1
InChIKeyOBOQIELAMFFKRS-MNOVXSKESA-N
MW240.30 g/mol
LogP-0.29
Rot. Bonds3

About morpholin-4-yl-[(2S)-1-[[(2R)-oxiran-2-yl]methyl]pyrrolidin-2-yl]methanone

morpholin-4-yl-[(2S)-1-[[(2R)-oxiran-2-yl]methyl]pyrrolidin-2-yl]methanone (PubChem CID 97181537) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is morpholin-4-yl-[(2S)-1-[[(2R)-oxiran-2-yl]methyl]pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[(2S)-1-[[(2R)-oxiran-2-yl]methyl]pyrrolidin-2-yl]methanone
PubChem CID97181537
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Namemorpholin-4-yl-[(2S)-1-[[(2R)-oxiran-2-yl]methyl]pyrrolidin-2-yl]methanone
SMILESO=C([C@@H]1CCCN1C[C@@H]1CO1)N1CCOCC1
InChIInChI=1S/C12H20N2O3/c15-12(13-4-6-16-7-5-13)11-2-1-3-14(11)8-10-9-17-10/h10-11H,1-9H2/t10-,11+/m1/s1
InChIKeyOBOQIELAMFFKRS-MNOVXSKESA-N
XLogP-0.29
TPSA45.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[(2S)-1-[[(2R)-oxiran-2-yl]methyl]pyrrolidin-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[(2S)-1-[[(2R)-oxiran-2-yl]methyl]pyrrolidin-2-yl]methanone (CID 97181537) is morpholin-4-yl-[(2S)-1-[[(2R)-oxiran-2-yl]methyl]pyrrolidin-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[(2S)-1-[[(2R)-oxiran-2-yl]methyl]pyrrolidin-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[(2S)-1-[[(2R)-oxiran-2-yl]methyl]pyrrolidin-2-yl]methanone is O=C([C@@H]1CCCN1C[C@@H]1CO1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[(2S)-1-[[(2R)-oxiran-2-yl]methyl]pyrrolidin-2-yl]methanone?
The InChIKey is OBOQIELAMFFKRS-MNOVXSKESA-N. The full InChI is InChI=1S/C12H20N2O3/c15-12(13-4-6-16-7-5-13)11-2-1-3-14(11)8-10-9-17-10/h10-11H,1-9H2/t10-,11+/m1/s1.
What are the key properties of morpholin-4-yl-[(2S)-1-[[(2R)-oxiran-2-yl]methyl]pyrrolidin-2-yl]methanone?
morpholin-4-yl-[(2S)-1-[[(2R)-oxiran-2-yl]methyl]pyrrolidin-2-yl]methanone has a molecular weight of 240.30 g/mol, XLogP of -0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[(2S)-1-[[(2R)-oxiran-2-yl]methyl]pyrrolidin-2-yl]methanone is sourced from PubChem (CID 97181537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).