N-(4-propylmorpholin-4-ium-4-yl)prop-2-enamide

C10H19N2O2+ — CID 69237966

IUPACN-(4-propylmorpholin-4-ium-4-yl)prop-2-enamide
SMILESC=CC(=O)N[N+]1(CCC)CCOCC1
InChIInChI=1S/C10H18N2O2/c1-3-5-12(11-10(13)4-2)6-8-14-9-7-12/h4H,2-3,5-9H2,1H3/p+1
InChIKeyBCVBSSLXEDWAJB-UHFFFAOYSA-O
MW199.27 g/mol
LogP0.46
Rot. Bonds4

About N-(4-propylmorpholin-4-ium-4-yl)prop-2-enamide

N-(4-propylmorpholin-4-ium-4-yl)prop-2-enamide (PubChem CID 69237966) has the molecular formula C10H19N2O2+ and a molecular weight of 199.27 g/mol. Its IUPAC name is N-(4-propylmorpholin-4-ium-4-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-propylmorpholin-4-ium-4-yl)prop-2-enamide
PubChem CID69237966
Molecular FormulaC10H19N2O2+
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC NameN-(4-propylmorpholin-4-ium-4-yl)prop-2-enamide
SMILESC=CC(=O)N[N+]1(CCC)CCOCC1
InChIInChI=1S/C10H18N2O2/c1-3-5-12(11-10(13)4-2)6-8-14-9-7-12/h4H,2-3,5-9H2,1H3/p+1
InChIKeyBCVBSSLXEDWAJB-UHFFFAOYSA-O
XLogP0.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 50.46
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'}

Analyze N-(4-propylmorpholin-4-ium-4-yl)prop-2-enamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-propylmorpholin-4-ium-4-yl)prop-2-enamide?
The IUPAC name of N-(4-propylmorpholin-4-ium-4-yl)prop-2-enamide (CID 69237966) is N-(4-propylmorpholin-4-ium-4-yl)prop-2-enamide.
What is the SMILES notation for N-(4-propylmorpholin-4-ium-4-yl)prop-2-enamide?
The canonical SMILES for N-(4-propylmorpholin-4-ium-4-yl)prop-2-enamide is C=CC(=O)N[N+]1(CCC)CCOCC1.
What is the InChIKey of N-(4-propylmorpholin-4-ium-4-yl)prop-2-enamide?
The InChIKey is BCVBSSLXEDWAJB-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H18N2O2/c1-3-5-12(11-10(13)4-2)6-8-14-9-7-12/h4H,2-3,5-9H2,1H3/p+1.
What are the key properties of N-(4-propylmorpholin-4-ium-4-yl)prop-2-enamide?
N-(4-propylmorpholin-4-ium-4-yl)prop-2-enamide has a molecular weight of 199.27 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propylmorpholin-4-ium-4-yl)prop-2-enamide is sourced from PubChem (CID 69237966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).