N-(4-ethyl-4-methylmorpholin-4-ium-3-yl)-2-methylprop-2-enamide

C11H21N2O2+ — CID 67519605

IUPACN-(4-ethyl-4-methylmorpholin-4-ium-3-yl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC1COCC[N+]1(C)CC
InChIInChI=1S/C11H20N2O2/c1-5-13(4)6-7-15-8-10(13)12-11(14)9(2)3/h10H,2,5-8H2,1,3-4H3/p+1
InChIKeyFAWMPSUJUAPMRB-UHFFFAOYSA-O
MW213.30 g/mol
LogP0.50
Rot. Bonds3

About N-(4-ethyl-4-methylmorpholin-4-ium-3-yl)-2-methylprop-2-enamide

N-(4-ethyl-4-methylmorpholin-4-ium-3-yl)-2-methylprop-2-enamide (PubChem CID 67519605) has the molecular formula C11H21N2O2+ and a molecular weight of 213.30 g/mol. Its IUPAC name is N-(4-ethyl-4-methylmorpholin-4-ium-3-yl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(4-ethyl-4-methylmorpholin-4-ium-3-yl)-2-methylprop-2-enamide
PubChem CID67519605
Molecular FormulaC11H21N2O2+
Molecular Weight213.30 g/mol
Exact Mass213.16
IUPAC NameN-(4-ethyl-4-methylmorpholin-4-ium-3-yl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC1COCC[N+]1(C)CC
InChIInChI=1S/C11H20N2O2/c1-5-13(4)6-7-15-8-10(13)12-11(14)9(2)3/h10H,2,5-8H2,1,3-4H3/p+1
InChIKeyFAWMPSUJUAPMRB-UHFFFAOYSA-O
XLogP0.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-4-methylmorpholin-4-ium-3-yl)-2-methylprop-2-enamide?
The IUPAC name of N-(4-ethyl-4-methylmorpholin-4-ium-3-yl)-2-methylprop-2-enamide (CID 67519605) is N-(4-ethyl-4-methylmorpholin-4-ium-3-yl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(4-ethyl-4-methylmorpholin-4-ium-3-yl)-2-methylprop-2-enamide?
The canonical SMILES for N-(4-ethyl-4-methylmorpholin-4-ium-3-yl)-2-methylprop-2-enamide is C=C(C)C(=O)NC1COCC[N+]1(C)CC.
What is the InChIKey of N-(4-ethyl-4-methylmorpholin-4-ium-3-yl)-2-methylprop-2-enamide?
The InChIKey is FAWMPSUJUAPMRB-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H20N2O2/c1-5-13(4)6-7-15-8-10(13)12-11(14)9(2)3/h10H,2,5-8H2,1,3-4H3/p+1.
What are the key properties of N-(4-ethyl-4-methylmorpholin-4-ium-3-yl)-2-methylprop-2-enamide?
N-(4-ethyl-4-methylmorpholin-4-ium-3-yl)-2-methylprop-2-enamide has a molecular weight of 213.30 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-4-methylmorpholin-4-ium-3-yl)-2-methylprop-2-enamide is sourced from PubChem (CID 67519605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).