2-[(2S)-1-methoxybut-3-en-2-yl]oxy-1-morpholin-4-ylethanone

C11H19NO4 — CID 122502844

IUPAC2-[(2S)-1-methoxybut-3-en-2-yl]oxy-1-morpholin-4-ylethanone
SMILESC=C[C@@H](COC)OCC(=O)N1CCOCC1
InChIInChI=1S/C11H19NO4/c1-3-10(8-14-2)16-9-11(13)12-4-6-15-7-5-12/h3,10H,1,4-9H2,2H3/t10-/m0/s1
InChIKeyOANNDTYSTZWGHZ-JTQLQIEISA-N
MW229.28 g/mol
LogP0.06
Rot. Bonds6

About 2-[(2S)-1-methoxybut-3-en-2-yl]oxy-1-morpholin-4-ylethanone

2-[(2S)-1-methoxybut-3-en-2-yl]oxy-1-morpholin-4-ylethanone (PubChem CID 122502844) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[(2S)-1-methoxybut-3-en-2-yl]oxy-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(2S)-1-methoxybut-3-en-2-yl]oxy-1-morpholin-4-ylethanone
PubChem CID122502844
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-[(2S)-1-methoxybut-3-en-2-yl]oxy-1-morpholin-4-ylethanone
SMILESC=C[C@@H](COC)OCC(=O)N1CCOCC1
InChIInChI=1S/C11H19NO4/c1-3-10(8-14-2)16-9-11(13)12-4-6-15-7-5-12/h3,10H,1,4-9H2,2H3/t10-/m0/s1
InChIKeyOANNDTYSTZWGHZ-JTQLQIEISA-N
XLogP0.06
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-methoxybut-3-en-2-yl]oxy-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(2S)-1-methoxybut-3-en-2-yl]oxy-1-morpholin-4-ylethanone (CID 122502844) is 2-[(2S)-1-methoxybut-3-en-2-yl]oxy-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(2S)-1-methoxybut-3-en-2-yl]oxy-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(2S)-1-methoxybut-3-en-2-yl]oxy-1-morpholin-4-ylethanone is C=C[C@@H](COC)OCC(=O)N1CCOCC1.
What is the InChIKey of 2-[(2S)-1-methoxybut-3-en-2-yl]oxy-1-morpholin-4-ylethanone?
The InChIKey is OANNDTYSTZWGHZ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19NO4/c1-3-10(8-14-2)16-9-11(13)12-4-6-15-7-5-12/h3,10H,1,4-9H2,2H3/t10-/m0/s1.
What are the key properties of 2-[(2S)-1-methoxybut-3-en-2-yl]oxy-1-morpholin-4-ylethanone?
2-[(2S)-1-methoxybut-3-en-2-yl]oxy-1-morpholin-4-ylethanone has a molecular weight of 229.28 g/mol, XLogP of 0.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-methoxybut-3-en-2-yl]oxy-1-morpholin-4-ylethanone is sourced from PubChem (CID 122502844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).