4-methyl-1-morpholin-2-ylpent-4-en-2-one

C10H17NO2 — CID 116586358

IUPAC4-methyl-1-morpholin-2-ylpent-4-en-2-one
SMILESC=C(C)CC(=O)CC1CNCCO1
InChIInChI=1S/C10H17NO2/c1-8(2)5-9(12)6-10-7-11-3-4-13-10/h10-11H,1,3-7H2,2H3
InChIKeyCFEQFQPRFRWNQS-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.90
Rot. Bonds4

About 4-methyl-1-morpholin-2-ylpent-4-en-2-one

4-methyl-1-morpholin-2-ylpent-4-en-2-one (PubChem CID 116586358) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-methyl-1-morpholin-2-ylpent-4-en-2-one.

Molecular Properties

Compound Name4-methyl-1-morpholin-2-ylpent-4-en-2-one
PubChem CID116586358
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name4-methyl-1-morpholin-2-ylpent-4-en-2-one
SMILESC=C(C)CC(=O)CC1CNCCO1
InChIInChI=1S/C10H17NO2/c1-8(2)5-9(12)6-10-7-11-3-4-13-10/h10-11H,1,3-7H2,2H3
InChIKeyCFEQFQPRFRWNQS-UHFFFAOYSA-N
XLogP0.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-morpholin-2-ylbutan-2-one
CID 116586154
N,N-diethyl-2-morpholin-2-ylacetamide
CID 66435692
2-morpholin-2-ylacetohydrazide
CID 66428542
3-methyl-1-morpholin-2-ylbutan-2-one
CID 116586136
N-(3-ethylpentan-3-yl)-2-morpholin-2-ylacetamide
CID 66428123
N-(1-methylcyclopentyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119736538
N-ethylsulfonyl-2-morpholin-2-ylacetamide
CID 103306746
N-(2,3-dimethyloxolan-3-yl)-2-morpholin-2-ylacetamide
CID 114096023
N-methyl-2-morpholin-2-yl-N-propan-2-ylacetamide
CID 66434341
(2R)-2-[(2-morpholin-2-ylacetyl)amino]propanoic acid
CID 79036623
N-(2,2-dimethylcyclopropyl)-2-morpholin-2-ylacetamide
CID 66427680
N-(2-cyclopropylpropan-2-yl)-2-morpholin-2-ylacetamide
CID 103809623

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-morpholin-2-ylpent-4-en-2-one?
The IUPAC name of 4-methyl-1-morpholin-2-ylpent-4-en-2-one (CID 116586358) is 4-methyl-1-morpholin-2-ylpent-4-en-2-one.
What is the SMILES notation for 4-methyl-1-morpholin-2-ylpent-4-en-2-one?
The canonical SMILES for 4-methyl-1-morpholin-2-ylpent-4-en-2-one is C=C(C)CC(=O)CC1CNCCO1.
What is the InChIKey of 4-methyl-1-morpholin-2-ylpent-4-en-2-one?
The InChIKey is CFEQFQPRFRWNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(2)5-9(12)6-10-7-11-3-4-13-10/h10-11H,1,3-7H2,2H3.
What are the key properties of 4-methyl-1-morpholin-2-ylpent-4-en-2-one?
4-methyl-1-morpholin-2-ylpent-4-en-2-one has a molecular weight of 183.25 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-morpholin-2-ylpent-4-en-2-one is sourced from PubChem (CID 116586358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).