2-[(E)-prop-1-enyl]morpholin-4-ium

C7H14NO+ — CID 166440654

IUPAC2-[(E)-prop-1-enyl]morpholin-4-ium
SMILESC/C=C/C1C[NH2+]CCO1
InChIInChI=1S/C7H13NO/c1-2-3-7-6-8-4-5-9-7/h2-3,7-8H,4-6H2,1H3/p+1/b3-2+
InChIKeyWQGJGBCCLHILNT-NSCUHMNNSA-O
MW128.19 g/mol
LogP-0.48
Rot. Bonds1

About 2-[(E)-prop-1-enyl]morpholin-4-ium

2-[(E)-prop-1-enyl]morpholin-4-ium (PubChem CID 166440654) has the molecular formula C7H14NO+ and a molecular weight of 128.19 g/mol. Its IUPAC name is 2-[(E)-prop-1-enyl]morpholin-4-ium.

Molecular Properties

Compound Name2-[(E)-prop-1-enyl]morpholin-4-ium
PubChem CID166440654
Molecular FormulaC7H14NO+
Molecular Weight128.19 g/mol
Exact Mass128.11
IUPAC Name2-[(E)-prop-1-enyl]morpholin-4-ium
SMILESC/C=C/C1C[NH2+]CCO1
InChIInChI=1S/C7H13NO/c1-2-3-7-6-8-4-5-9-7/h2-3,7-8H,4-6H2,1H3/p+1/b3-2+
InChIKeyWQGJGBCCLHILNT-NSCUHMNNSA-O
XLogP-0.48
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.19
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(E)-prop-1-enyl]morpholin-4-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Ethenylmorpholine
CID 17974078
[(3R)-1,2,3,6-tetrahydropyridin-3-yl] acetate
CID 134965840
2-[(1E)-buta-1,3-dienyl]morpholine
CID 18958909
2-Ethenylmorpholine hydrochloride
CID 46741253
2-But-2-enylmorpholine
CID 54499385
3-Propan-2-yloxy-1,2,3,6-tetrahydropyridine
CID 57751839
N,6-dimethyl-3,6-dihydro-2H-pyran-3-amine
CID 59398020
2-(2-Methylprop-1-enyl)morpholine
CID 67801913
3-Methoxy-1,2,3,6-tetrahydropyridine
CID 68102964
2,3,4,4a,5,7a-Hexahydrocyclopenta[b][1,4]oxazine
CID 68281689
2-Hex-1-enylmorpholine
CID 68588543
2,2-bis[(E)-but-1-enyl]morpholine
CID 68589112

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-prop-1-enyl]morpholin-4-ium?
The IUPAC name of 2-[(E)-prop-1-enyl]morpholin-4-ium (CID 166440654) is 2-[(E)-prop-1-enyl]morpholin-4-ium.
What is the SMILES notation for 2-[(E)-prop-1-enyl]morpholin-4-ium?
The canonical SMILES for 2-[(E)-prop-1-enyl]morpholin-4-ium is C/C=C/C1C[NH2+]CCO1.
What is the InChIKey of 2-[(E)-prop-1-enyl]morpholin-4-ium?
The InChIKey is WQGJGBCCLHILNT-NSCUHMNNSA-O. The full InChI is InChI=1S/C7H13NO/c1-2-3-7-6-8-4-5-9-7/h2-3,7-8H,4-6H2,1H3/p+1/b3-2+.
What are the key properties of 2-[(E)-prop-1-enyl]morpholin-4-ium?
2-[(E)-prop-1-enyl]morpholin-4-ium has a molecular weight of 128.19 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-prop-1-enyl]morpholin-4-ium is sourced from PubChem (CID 166440654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).