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

C9H16N2O2 — CID 118137434

IUPACN-[(4-methylmorpholin-3-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCC1COCCN1C
InChIInChI=1S/C9H16N2O2/c1-3-9(12)10-6-8-7-13-5-4-11(8)2/h3,8H,1,4-7H2,2H3,(H,10,12)
InChIKeyGGWYDOWLJMHQTR-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.38
Rot. Bonds3

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

N-[(4-methylmorpholin-3-yl)methyl]prop-2-enamide (PubChem CID 118137434) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-[(4-methylmorpholin-3-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(4-methylmorpholin-3-yl)methyl]prop-2-enamide
PubChem CID118137434
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-[(4-methylmorpholin-3-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCC1COCCN1C
InChIInChI=1S/C9H16N2O2/c1-3-9(12)10-6-8-7-13-5-4-11(8)2/h3,8H,1,4-7H2,2H3,(H,10,12)
InChIKeyGGWYDOWLJMHQTR-UHFFFAOYSA-N
XLogP-0.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4-methylmorpholin-3-yl)methyl]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-methylmorpholin-3-yl)methyl]prop-2-enamide?
The IUPAC name of N-[(4-methylmorpholin-3-yl)methyl]prop-2-enamide (CID 118137434) is N-[(4-methylmorpholin-3-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-[(4-methylmorpholin-3-yl)methyl]prop-2-enamide?
The canonical SMILES for N-[(4-methylmorpholin-3-yl)methyl]prop-2-enamide is C=CC(=O)NCC1COCCN1C.
What is the InChIKey of N-[(4-methylmorpholin-3-yl)methyl]prop-2-enamide?
The InChIKey is GGWYDOWLJMHQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-9(12)10-6-8-7-13-5-4-11(8)2/h3,8H,1,4-7H2,2H3,(H,10,12).
What are the key properties of N-[(4-methylmorpholin-3-yl)methyl]prop-2-enamide?
N-[(4-methylmorpholin-3-yl)methyl]prop-2-enamide has a molecular weight of 184.24 g/mol, XLogP of -0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-3-yl)methyl]prop-2-enamide is sourced from PubChem (CID 118137434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).