dimethyl-prop-2-enoyl-(4-prop-2-enoylmorpholin-3-yl)azanium

C12H19N2O3+ — CID 69051621

IUPACdimethyl-prop-2-enoyl-(4-prop-2-enoylmorpholin-3-yl)azanium
SMILESC=CC(=O)N1CCOCC1[N+](C)(C)C(=O)C=C
InChIInChI=1S/C12H19N2O3/c1-5-11(15)13-7-8-17-9-10(13)14(3,4)12(16)6-2/h5-6,10H,1-2,7-9H2,3-4H3/q+1
InChIKeyZYUIMJUPJLVTDL-UHFFFAOYSA-N
MW239.29 g/mol
LogP0.15
Rot. Bonds3

About dimethyl-prop-2-enoyl-(4-prop-2-enoylmorpholin-3-yl)azanium

dimethyl-prop-2-enoyl-(4-prop-2-enoylmorpholin-3-yl)azanium (PubChem CID 69051621) has the molecular formula C12H19N2O3+ and a molecular weight of 239.29 g/mol. Its IUPAC name is dimethyl-prop-2-enoyl-(4-prop-2-enoylmorpholin-3-yl)azanium.

Molecular Properties

Compound Namedimethyl-prop-2-enoyl-(4-prop-2-enoylmorpholin-3-yl)azanium
PubChem CID69051621
Molecular FormulaC12H19N2O3+
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Namedimethyl-prop-2-enoyl-(4-prop-2-enoylmorpholin-3-yl)azanium
SMILESC=CC(=O)N1CCOCC1[N+](C)(C)C(=O)C=C
InChIInChI=1S/C12H19N2O3/c1-5-11(15)13-7-8-17-9-10(13)14(3,4)12(16)6-2/h5-6,10H,1-2,7-9H2,3-4H3/q+1
InChIKeyZYUIMJUPJLVTDL-UHFFFAOYSA-N
XLogP0.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 50.15
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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Frequently Asked Questions

What is the IUPAC name of dimethyl-prop-2-enoyl-(4-prop-2-enoylmorpholin-3-yl)azanium?
The IUPAC name of dimethyl-prop-2-enoyl-(4-prop-2-enoylmorpholin-3-yl)azanium (CID 69051621) is dimethyl-prop-2-enoyl-(4-prop-2-enoylmorpholin-3-yl)azanium.
What is the SMILES notation for dimethyl-prop-2-enoyl-(4-prop-2-enoylmorpholin-3-yl)azanium?
The canonical SMILES for dimethyl-prop-2-enoyl-(4-prop-2-enoylmorpholin-3-yl)azanium is C=CC(=O)N1CCOCC1[N+](C)(C)C(=O)C=C.
What is the InChIKey of dimethyl-prop-2-enoyl-(4-prop-2-enoylmorpholin-3-yl)azanium?
The InChIKey is ZYUIMJUPJLVTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N2O3/c1-5-11(15)13-7-8-17-9-10(13)14(3,4)12(16)6-2/h5-6,10H,1-2,7-9H2,3-4H3/q+1.
What are the key properties of dimethyl-prop-2-enoyl-(4-prop-2-enoylmorpholin-3-yl)azanium?
dimethyl-prop-2-enoyl-(4-prop-2-enoylmorpholin-3-yl)azanium has a molecular weight of 239.29 g/mol, XLogP of 0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-prop-2-enoyl-(4-prop-2-enoylmorpholin-3-yl)azanium is sourced from PubChem (CID 69051621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).