2-(4-methylmorpholin-4-ium-4-yl)propyl prop-2-enoate

C11H20NO3+ — CID 142630567

IUPAC2-(4-methylmorpholin-4-ium-4-yl)propyl prop-2-enoate
SMILESC=CC(=O)OCC(C)[N+]1(C)CCOCC1
InChIInChI=1S/C11H20NO3/c1-4-11(13)15-9-10(2)12(3)5-7-14-8-6-12/h4,10H,1,5-9H2,2-3H3/q+1
InChIKeyRIHCKDZSONDWKU-UHFFFAOYSA-N
MW214.28 g/mol
LogP0.58
Rot. Bonds4

About 2-(4-methylmorpholin-4-ium-4-yl)propyl prop-2-enoate

2-(4-methylmorpholin-4-ium-4-yl)propyl prop-2-enoate (PubChem CID 142630567) has the molecular formula C11H20NO3+ and a molecular weight of 214.28 g/mol. Its IUPAC name is 2-(4-methylmorpholin-4-ium-4-yl)propyl prop-2-enoate.

Molecular Properties

Compound Name2-(4-methylmorpholin-4-ium-4-yl)propyl prop-2-enoate
PubChem CID142630567
Molecular FormulaC11H20NO3+
Molecular Weight214.28 g/mol
Exact Mass214.14
IUPAC Name2-(4-methylmorpholin-4-ium-4-yl)propyl prop-2-enoate
SMILESC=CC(=O)OCC(C)[N+]1(C)CCOCC1
InChIInChI=1S/C11H20NO3/c1-4-11(13)15-9-10(2)12(3)5-7-14-8-6-12/h4,10H,1,5-9H2,2-3H3/q+1
InChIKeyRIHCKDZSONDWKU-UHFFFAOYSA-N
XLogP0.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-hydroxypropyl prop-2-enoate;2-methyloxirane
CID 87793859
[(2S)-2-hydroxybutyl] prop-2-enoate
CID 141242121
[2-methyl-3-(2-methyl-3-prop-2-enoyloxypropoxy)carbonyloxypropyl] prop-2-enoate
CID 139835678
methane;2-prop-2-enoyloxypropyl prop-2-enoate
CID 161351901
(2-methyl-3-methylsulfonylpropyl) prop-2-enoate
CID 146585677
(3-bromo-2-hydroxypropyl) prop-2-enoate
CID 54425888
2-hydroxybutyl prop-2-enoate;2-methyloxirane
CID 141341823
6-methylheptyl prop-2-enoate;oxirane
CID 159134071
2-chloropropyl prop-2-enoate;prop-2-enoic acid
CID 175785601
trimethyl(1-prop-2-enoyloxypropan-2-yl)azanium chloride
CID 87502467
2,4-dimethylpent-3-enyl prop-2-enoate
CID 174401913
2-hydroxypropyl 2-methyl-3-prop-2-enoyloxypropanoate
CID 151533065

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylmorpholin-4-ium-4-yl)propyl prop-2-enoate?
The IUPAC name of 2-(4-methylmorpholin-4-ium-4-yl)propyl prop-2-enoate (CID 142630567) is 2-(4-methylmorpholin-4-ium-4-yl)propyl prop-2-enoate.
What is the SMILES notation for 2-(4-methylmorpholin-4-ium-4-yl)propyl prop-2-enoate?
The canonical SMILES for 2-(4-methylmorpholin-4-ium-4-yl)propyl prop-2-enoate is C=CC(=O)OCC(C)[N+]1(C)CCOCC1.
What is the InChIKey of 2-(4-methylmorpholin-4-ium-4-yl)propyl prop-2-enoate?
The InChIKey is RIHCKDZSONDWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20NO3/c1-4-11(13)15-9-10(2)12(3)5-7-14-8-6-12/h4,10H,1,5-9H2,2-3H3/q+1.
What are the key properties of 2-(4-methylmorpholin-4-ium-4-yl)propyl prop-2-enoate?
2-(4-methylmorpholin-4-ium-4-yl)propyl prop-2-enoate has a molecular weight of 214.28 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylmorpholin-4-ium-4-yl)propyl prop-2-enoate is sourced from PubChem (CID 142630567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).