2-methyl-1-morpholin-2-ylprop-2-en-1-one;1-morpholin-2-ylprop-2-en-1-one

C15H24N2O4 — CID 23164285

IUPAC2-methyl-1-morpholin-2-ylprop-2-en-1-one;1-morpholin-2-ylprop-2-en-1-one
SMILESC=C(C)C(=O)C1CNCCO1.C=CC(=O)C1CNCCO1
InChIInChI=1S/C8H13NO2.C7H11NO2/c1-6(2)8(10)7-5-9-3-4-11-7;1-2-6(9)7-5-8-3-4-10-7/h7,9H,1,3-5H2,2H3;2,7-8H,1,3-5H2
InChIKeyDDJJCNPEWXBRGS-UHFFFAOYSA-N
MW296.37 g/mol
LogP-0.15
Rot. Bonds4

About 2-methyl-1-morpholin-2-ylprop-2-en-1-one;1-morpholin-2-ylprop-2-en-1-one

2-methyl-1-morpholin-2-ylprop-2-en-1-one;1-morpholin-2-ylprop-2-en-1-one (PubChem CID 23164285) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-methyl-1-morpholin-2-ylprop-2-en-1-one;1-morpholin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name2-methyl-1-morpholin-2-ylprop-2-en-1-one;1-morpholin-2-ylprop-2-en-1-one
PubChem CID23164285
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-methyl-1-morpholin-2-ylprop-2-en-1-one;1-morpholin-2-ylprop-2-en-1-one
SMILESC=C(C)C(=O)C1CNCCO1.C=CC(=O)C1CNCCO1
InChIInChI=1S/C8H13NO2.C7H11NO2/c1-6(2)8(10)7-5-9-3-4-11-7;1-2-6(9)7-5-8-3-4-10-7/h7,9H,1,3-5H2,2H3;2,7-8H,1,3-5H2
InChIKeyDDJJCNPEWXBRGS-UHFFFAOYSA-N
XLogP-0.15
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-morpholin-4-ylethanone;1-morpholin-2-ylprop-2-en-1-one
CID 175463061
1-morpholin-2-ylprop-2-en-1-one;oxolan-2-ylmethyl 2-methylprop-2-enoate
CID 174809391
2-morpholin-2-yl-2-oxoacetaldehyde
CID 19972079
2-prop-1-en-2-ylmorpholine;hydrochloride
CID 154577477
1-morpholin-2-ylbut-2-en-1-one
CID 70502586
ethane;1-morpholin-2-ylethanone
CID 143224838
2-morpholin-2-ylprop-2-enoic acid
CID 175579148
ethane;morpholine-2-carboxylic acid
CID 170608685
N,N-dimethylmorpholine-2-carboxamide;ethane
CID 144883589
N,N-dimethylmorpholine-2-carboxamide;hydrochloride
CID 71298970
(2R)-morpholine-2-carboxamide
CID 51600069
(2S)-N-methyl-N-propan-2-ylmorpholine-2-carboxamide;hydrochloride
CID 131067526

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-morpholin-2-ylprop-2-en-1-one;1-morpholin-2-ylprop-2-en-1-one?
The IUPAC name of 2-methyl-1-morpholin-2-ylprop-2-en-1-one;1-morpholin-2-ylprop-2-en-1-one (CID 23164285) is 2-methyl-1-morpholin-2-ylprop-2-en-1-one;1-morpholin-2-ylprop-2-en-1-one.
What is the SMILES notation for 2-methyl-1-morpholin-2-ylprop-2-en-1-one;1-morpholin-2-ylprop-2-en-1-one?
The canonical SMILES for 2-methyl-1-morpholin-2-ylprop-2-en-1-one;1-morpholin-2-ylprop-2-en-1-one is C=C(C)C(=O)C1CNCCO1.C=CC(=O)C1CNCCO1.
What is the InChIKey of 2-methyl-1-morpholin-2-ylprop-2-en-1-one;1-morpholin-2-ylprop-2-en-1-one?
The InChIKey is DDJJCNPEWXBRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2.C7H11NO2/c1-6(2)8(10)7-5-9-3-4-11-7;1-2-6(9)7-5-8-3-4-10-7/h7,9H,1,3-5H2,2H3;2,7-8H,1,3-5H2.
What are the key properties of 2-methyl-1-morpholin-2-ylprop-2-en-1-one;1-morpholin-2-ylprop-2-en-1-one?
2-methyl-1-morpholin-2-ylprop-2-en-1-one;1-morpholin-2-ylprop-2-en-1-one has a molecular weight of 296.37 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-morpholin-2-ylprop-2-en-1-one;1-morpholin-2-ylprop-2-en-1-one is sourced from PubChem (CID 23164285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).