morpholin-4-yl-[(2R,3S)-3-propan-2-yloxiran-2-yl]methanone

C10H17NO3 — CID 134927855

IUPACmorpholin-4-yl-[(2R,3S)-3-propan-2-yloxiran-2-yl]methanone
SMILESCC(C)[C@@H]1O[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C10H17NO3/c1-7(2)8-9(14-8)10(12)11-3-5-13-6-4-11/h7-9H,3-6H2,1-2H3/t8-,9+/m0/s1
InChIKeyCJLHCTVXDBOALU-DTWKUNHWSA-N
MW199.25 g/mol
LogP0.27
Rot. Bonds2

About morpholin-4-yl-[(2R,3S)-3-propan-2-yloxiran-2-yl]methanone

morpholin-4-yl-[(2R,3S)-3-propan-2-yloxiran-2-yl]methanone (PubChem CID 134927855) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is morpholin-4-yl-[(2R,3S)-3-propan-2-yloxiran-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[(2R,3S)-3-propan-2-yloxiran-2-yl]methanone
PubChem CID134927855
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemorpholin-4-yl-[(2R,3S)-3-propan-2-yloxiran-2-yl]methanone
SMILESCC(C)[C@@H]1O[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C10H17NO3/c1-7(2)8-9(14-8)10(12)11-3-5-13-6-4-11/h7-9H,3-6H2,1-2H3/t8-,9+/m0/s1
InChIKeyCJLHCTVXDBOALU-DTWKUNHWSA-N
XLogP0.27
TPSA42.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(4R,5R)-2,2-dimethyl-5-(morpholine-4-carbonyl)-1,3-dioxolan-4-yl]-morpholin-4-ylmethanone
CID 24881834
morpholin-4-yl-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methanone
CID 3325966
[1-(2-methylpropyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 883920
(5-methyloxolan-3-yl)-morpholin-4-ylmethanone
CID 114826121
[1-(oxane-4-carbonyl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764611
morpholin-4-yl(oxetan-2-yl)methanone
CID 130874953
(2S)-2-chloro-1-morpholin-4-ylpropan-1-one
CID 2434799
1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 109146746
1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
CID 20707611
1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone
CID 10335257
1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
CID 949153
methyl morpholine-4-carboxylate
CID 12575354

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[(2R,3S)-3-propan-2-yloxiran-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[(2R,3S)-3-propan-2-yloxiran-2-yl]methanone (CID 134927855) is morpholin-4-yl-[(2R,3S)-3-propan-2-yloxiran-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[(2R,3S)-3-propan-2-yloxiran-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[(2R,3S)-3-propan-2-yloxiran-2-yl]methanone is CC(C)[C@@H]1O[C@H]1C(=O)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[(2R,3S)-3-propan-2-yloxiran-2-yl]methanone?
The InChIKey is CJLHCTVXDBOALU-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(2)8-9(14-8)10(12)11-3-5-13-6-4-11/h7-9H,3-6H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of morpholin-4-yl-[(2R,3S)-3-propan-2-yloxiran-2-yl]methanone?
morpholin-4-yl-[(2R,3S)-3-propan-2-yloxiran-2-yl]methanone has a molecular weight of 199.25 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[(2R,3S)-3-propan-2-yloxiran-2-yl]methanone is sourced from PubChem (CID 134927855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).