1-morpholin-4-ium-2-ylpropan-2-yl 2-methylprop-2-enoate chloride

C11H20ClNO3 — CID 22034956

IUPAC1-morpholin-4-ium-2-ylpropan-2-yl 2-methylprop-2-enoate chloride
SMILESC=C(C)C(=O)OC(C)CC1C[NH2+]CCO1.[Cl-]
InChIInChI=1S/C11H19NO3.ClH/c1-8(2)11(13)15-9(3)6-10-7-12-4-5-14-10;/h9-10,12H,1,4-7H2,2-3H3;1H
InChIKeyGAGCWWQUJHQGQW-UHFFFAOYSA-N
MW249.74 g/mol
LogP-3.15
Rot. Bonds4

About 1-morpholin-4-ium-2-ylpropan-2-yl 2-methylprop-2-enoate chloride

1-morpholin-4-ium-2-ylpropan-2-yl 2-methylprop-2-enoate chloride (PubChem CID 22034956) has the molecular formula C11H20ClNO3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 1-morpholin-4-ium-2-ylpropan-2-yl 2-methylprop-2-enoate chloride.

Molecular Properties

Compound Name1-morpholin-4-ium-2-ylpropan-2-yl 2-methylprop-2-enoate chloride
PubChem CID22034956
Molecular FormulaC11H20ClNO3
Molecular Weight249.74 g/mol
Exact Mass249.11
IUPAC Name1-morpholin-4-ium-2-ylpropan-2-yl 2-methylprop-2-enoate chloride
SMILESC=C(C)C(=O)OC(C)CC1C[NH2+]CCO1.[Cl-]
InChIInChI=1S/C11H19NO3.ClH/c1-8(2)11(13)15-9(3)6-10-7-12-4-5-14-10;/h9-10,12H,1,4-7H2,2-3H3;1H
InChIKeyGAGCWWQUJHQGQW-UHFFFAOYSA-N
XLogP-3.15
TPSA52.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 5-3.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ium-2-ylpropan-2-yl 2-methylprop-2-enoate chloride?
The IUPAC name of 1-morpholin-4-ium-2-ylpropan-2-yl 2-methylprop-2-enoate chloride (CID 22034956) is 1-morpholin-4-ium-2-ylpropan-2-yl 2-methylprop-2-enoate chloride.
What is the SMILES notation for 1-morpholin-4-ium-2-ylpropan-2-yl 2-methylprop-2-enoate chloride?
The canonical SMILES for 1-morpholin-4-ium-2-ylpropan-2-yl 2-methylprop-2-enoate chloride is C=C(C)C(=O)OC(C)CC1C[NH2+]CCO1.[Cl-].
What is the InChIKey of 1-morpholin-4-ium-2-ylpropan-2-yl 2-methylprop-2-enoate chloride?
The InChIKey is GAGCWWQUJHQGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3.ClH/c1-8(2)11(13)15-9(3)6-10-7-12-4-5-14-10;/h9-10,12H,1,4-7H2,2-3H3;1H.
What are the key properties of 1-morpholin-4-ium-2-ylpropan-2-yl 2-methylprop-2-enoate chloride?
1-morpholin-4-ium-2-ylpropan-2-yl 2-methylprop-2-enoate chloride has a molecular weight of 249.74 g/mol, XLogP of -3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ium-2-ylpropan-2-yl 2-methylprop-2-enoate chloride is sourced from PubChem (CID 22034956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).