N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]prop-2-enamide

C11H21N2O2+ — CID 129181058

IUPACN-[3-(4-methylmorpholin-4-ium-4-yl)propyl]prop-2-enamide
SMILESC=CC(=O)NCCC[N+]1(C)CCOCC1
InChIInChI=1S/C11H20N2O2/c1-3-11(14)12-5-4-6-13(2)7-9-15-10-8-13/h3H,1,4-10H2,2H3/p+1
InChIKeyUULNLAFBJQKMGI-UHFFFAOYSA-O
MW213.30 g/mol
LogP0.16
Rot. Bonds5

About N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]prop-2-enamide

N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]prop-2-enamide (PubChem CID 129181058) has the molecular formula C11H21N2O2+ and a molecular weight of 213.30 g/mol. Its IUPAC name is N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(4-methylmorpholin-4-ium-4-yl)propyl]prop-2-enamide
PubChem CID129181058
Molecular FormulaC11H21N2O2+
Molecular Weight213.30 g/mol
Exact Mass213.16
IUPAC NameN-[3-(4-methylmorpholin-4-ium-4-yl)propyl]prop-2-enamide
SMILESC=CC(=O)NCCC[N+]1(C)CCOCC1
InChIInChI=1S/C11H20N2O2/c1-3-11(14)12-5-4-6-13(2)7-9-15-10-8-13/h3H,1,4-10H2,2H3/p+1
InChIKeyUULNLAFBJQKMGI-UHFFFAOYSA-O
XLogP0.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-methyl-4-(morpholin-4-yl)butan-2-yl]prop-2-enamide
CID 567672
N-[3-(morpholin-4-yl)propyl]-N'-(prop-2-en-1-yl)ethanediamide
CID 2291499
(E)-N-methyl-4-morpholin-4-ylbut-2-enamide
CID 89242760
N-(2-hydroxyethyl)prop-2-enamide;1-morpholin-4-ylprop-2-en-1-one
CID 69898105
N-(3-morpholin-4-ylpropyl)acetamide
CID 299677
2-methyl-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 10330366
(z,e)-3-(Methylamino)-1-(morpholin-4-yl)prop-2-en-1-one
CID 129407797
N-(2-Morpholinoethyl)acrylamide
CID 10241489
N-(3-Morpholinopropyl)acrylamide
CID 11735756
2-methyl-N-(4-morpholin-4-ylbutyl)prop-2-enamide
CID 18464091
2-methyl-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 18464096
N-(1-morpholin-4-ylethyl)prop-2-enamide
CID 18539662

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]prop-2-enamide?
The IUPAC name of N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]prop-2-enamide (CID 129181058) is N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]prop-2-enamide.
What is the SMILES notation for N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]prop-2-enamide?
The canonical SMILES for N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]prop-2-enamide is C=CC(=O)NCCC[N+]1(C)CCOCC1.
What is the InChIKey of N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]prop-2-enamide?
The InChIKey is UULNLAFBJQKMGI-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H20N2O2/c1-3-11(14)12-5-4-6-13(2)7-9-15-10-8-13/h3H,1,4-10H2,2H3/p+1.
What are the key properties of N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]prop-2-enamide?
N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]prop-2-enamide has a molecular weight of 213.30 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]prop-2-enamide is sourced from PubChem (CID 129181058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).