4-methyl-2-prop-2-enoylmorpholin-3-one

C8H11NO3 — CID 169224433

IUPAC4-methyl-2-prop-2-enoylmorpholin-3-one
SMILESC=CC(=O)C1OCCN(C)C1=O
InChIInChI=1S/C8H11NO3/c1-3-6(10)7-8(11)9(2)4-5-12-7/h3,7H,1,4-5H2,2H3
InChIKeyKISHKLHXEZLADD-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.40
Rot. Bonds2

About 4-methyl-2-prop-2-enoylmorpholin-3-one

4-methyl-2-prop-2-enoylmorpholin-3-one (PubChem CID 169224433) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-methyl-2-prop-2-enoylmorpholin-3-one.

Molecular Properties

Compound Name4-methyl-2-prop-2-enoylmorpholin-3-one
PubChem CID169224433
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name4-methyl-2-prop-2-enoylmorpholin-3-one
SMILESC=CC(=O)C1OCCN(C)C1=O
InChIInChI=1S/C8H11NO3/c1-3-6(10)7-8(11)9(2)4-5-12-7/h3,7H,1,4-5H2,2H3
InChIKeyKISHKLHXEZLADD-UHFFFAOYSA-N
XLogP-0.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-methyl-2-prop-2-enoylmorpholin-3-one 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

4-(3-Oxopent-4-enyl)morpholin-3-one
CID 59288982
1-(4-Methylmorpholin-2-yl)prop-2-en-1-one
CID 79077810
2-ethoxy-N,N-dimethyl-3-oxopent-4-enamide
CID 141038560
4-Methyl-2-prop-2-enylmorpholin-3-one
CID 141957621
4-Methyl-2-prop-2-enoylmorpholine-3,5-dione
CID 169224432
1-(4-Methylmorpholin-2-yl)prop-2-en-1-one;prop-2-enamide
CID 174939125
1-(4-Acetylmorpholin-2-yl)prop-2-en-1-one
CID 175240131
1-(4-Propan-2-ylmorpholin-2-yl)prop-2-en-1-one
CID 79657900
1-(4-Ethylmorpholin-2-yl)prop-2-en-1-one
CID 79666331
1-(4-Propylmorpholin-2-yl)prop-2-en-1-one
CID 79669781
(2S)-2-methoxy-1-morpholin-4-ylpent-4-en-1-one
CID 101105012
Tert-butyl 2-(prop-2-enoyl)morpholine-4-carboxylate
CID 165467919

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-prop-2-enoylmorpholin-3-one?
The IUPAC name of 4-methyl-2-prop-2-enoylmorpholin-3-one (CID 169224433) is 4-methyl-2-prop-2-enoylmorpholin-3-one.
What is the SMILES notation for 4-methyl-2-prop-2-enoylmorpholin-3-one?
The canonical SMILES for 4-methyl-2-prop-2-enoylmorpholin-3-one is C=CC(=O)C1OCCN(C)C1=O.
What is the InChIKey of 4-methyl-2-prop-2-enoylmorpholin-3-one?
The InChIKey is KISHKLHXEZLADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-3-6(10)7-8(11)9(2)4-5-12-7/h3,7H,1,4-5H2,2H3.
What are the key properties of 4-methyl-2-prop-2-enoylmorpholin-3-one?
4-methyl-2-prop-2-enoylmorpholin-3-one has a molecular weight of 169.18 g/mol, XLogP of -0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-prop-2-enoylmorpholin-3-one is sourced from PubChem (CID 169224433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).