1-morpholin-2-ylbut-2-en-1-one

C8H13NO2 — CID 70502586

IUPAC1-morpholin-2-ylbut-2-en-1-one
SMILESCC=CC(=O)C1CNCCO1
InChIInChI=1S/C8H13NO2/c1-2-3-7(10)8-6-9-4-5-11-8/h2-3,8-9H,4-6H2,1H3
InChIKeyPWBXGUDMNOVDOQ-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.12
Rot. Bonds2

About 1-morpholin-2-ylbut-2-en-1-one

1-morpholin-2-ylbut-2-en-1-one (PubChem CID 70502586) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-morpholin-2-ylbut-2-en-1-one.

Molecular Properties

Compound Name1-morpholin-2-ylbut-2-en-1-one
PubChem CID70502586
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-morpholin-2-ylbut-2-en-1-one
SMILESCC=CC(=O)C1CNCCO1
InChIInChI=1S/C8H13NO2/c1-2-3-7(10)8-6-9-4-5-11-8/h2-3,8-9H,4-6H2,1H3
InChIKeyPWBXGUDMNOVDOQ-UHFFFAOYSA-N
XLogP0.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-morpholin-2-yl-2-oxoacetaldehyde
CID 19972079
ethane;morpholine-2-carboxylic acid
CID 170608685
ethane;1-morpholin-2-ylethanone
CID 143224838
N,N-dimethylmorpholine-2-carboxamide;ethane
CID 144883589
N,N-dimethylmorpholine-2-carboxamide;hydrochloride
CID 71298970
2-methyl-1-morpholin-2-ylprop-2-en-1-one;1-morpholin-2-ylprop-2-en-1-one
CID 23164285
(2R)-morpholine-2-carboxamide
CID 51600069
1-morpholin-4-ylethanone;1-morpholin-2-ylprop-2-en-1-one
CID 175463061
1-pyrrolidin-3-ylbut-2-en-1-one
CID 168664788
(2S)-N-methyl-N-propan-2-ylmorpholine-2-carboxamide;hydrochloride
CID 131067526
3-(2-hydroxy-4-methoxyphenyl)-1-morpholin-2-ylprop-2-en-1-one
CID 70270345
2-prop-1-en-2-ylmorpholine;hydrochloride
CID 154577477

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-2-ylbut-2-en-1-one?
The IUPAC name of 1-morpholin-2-ylbut-2-en-1-one (CID 70502586) is 1-morpholin-2-ylbut-2-en-1-one.
What is the SMILES notation for 1-morpholin-2-ylbut-2-en-1-one?
The canonical SMILES for 1-morpholin-2-ylbut-2-en-1-one is CC=CC(=O)C1CNCCO1.
What is the InChIKey of 1-morpholin-2-ylbut-2-en-1-one?
The InChIKey is PWBXGUDMNOVDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-3-7(10)8-6-9-4-5-11-8/h2-3,8-9H,4-6H2,1H3.
What are the key properties of 1-morpholin-2-ylbut-2-en-1-one?
1-morpholin-2-ylbut-2-en-1-one has a molecular weight of 155.20 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-2-ylbut-2-en-1-one is sourced from PubChem (CID 70502586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).