3-methyl-1-(1-morpholin-4-ylcyclopentyl)but-3-en-1-one

C14H23NO2 — CID 79179560

IUPAC3-methyl-1-(1-morpholin-4-ylcyclopentyl)but-3-en-1-one
SMILESC=C(C)CC(=O)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C14H23NO2/c1-12(2)11-13(16)14(5-3-4-6-14)15-7-9-17-10-8-15/h1,3-11H2,2H3
InChIKeyKZUAWDYVUYHKAT-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.17
Rot. Bonds4

About 3-methyl-1-(1-morpholin-4-ylcyclopentyl)but-3-en-1-one

3-methyl-1-(1-morpholin-4-ylcyclopentyl)but-3-en-1-one (PubChem CID 79179560) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-methyl-1-(1-morpholin-4-ylcyclopentyl)but-3-en-1-one.

Molecular Properties

Compound Name3-methyl-1-(1-morpholin-4-ylcyclopentyl)but-3-en-1-one
PubChem CID79179560
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-methyl-1-(1-morpholin-4-ylcyclopentyl)but-3-en-1-one
SMILESC=C(C)CC(=O)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C14H23NO2/c1-12(2)11-13(16)14(5-3-4-6-14)15-7-9-17-10-8-15/h1,3-11H2,2H3
InChIKeyKZUAWDYVUYHKAT-UHFFFAOYSA-N
XLogP2.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-one
CID 79179559
methyl 1-morpholin-4-ylcyclopentane-1-carboxylate
CID 67506200
1-(1-morpholin-4-ylcyclopentyl)hex-5-en-1-one
CID 79059273
4,4,4-trifluoro-1-(1-morpholin-4-ylcyclopentyl)butan-1-one
CID 79059282
2,2-dimethyl-1-(1-morpholin-4-ylcyclopentyl)propan-1-one
CID 79057514
1-morpholin-4-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 66545433
2-(5-ethylthiophen-2-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone
CID 79059531
(1-morpholin-4-ylcyclopentyl)-(oxan-4-yl)methanone
CID 79059005
2-(1-ethylpyrazol-4-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone
CID 79058765
1-(1-morpholin-4-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanone
CID 79825005
(3,5-dimethylcyclohexyl)-(1-morpholin-4-ylcyclopentyl)methanone
CID 79059527
8-morpholin-4-ylspiro[4.5]decane-8-carboxylic acid
CID 114819765

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-morpholin-4-ylcyclopentyl)but-3-en-1-one?
The IUPAC name of 3-methyl-1-(1-morpholin-4-ylcyclopentyl)but-3-en-1-one (CID 79179560) is 3-methyl-1-(1-morpholin-4-ylcyclopentyl)but-3-en-1-one.
What is the SMILES notation for 3-methyl-1-(1-morpholin-4-ylcyclopentyl)but-3-en-1-one?
The canonical SMILES for 3-methyl-1-(1-morpholin-4-ylcyclopentyl)but-3-en-1-one is C=C(C)CC(=O)C1(N2CCOCC2)CCCC1.
What is the InChIKey of 3-methyl-1-(1-morpholin-4-ylcyclopentyl)but-3-en-1-one?
The InChIKey is KZUAWDYVUYHKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-12(2)11-13(16)14(5-3-4-6-14)15-7-9-17-10-8-15/h1,3-11H2,2H3.
What are the key properties of 3-methyl-1-(1-morpholin-4-ylcyclopentyl)but-3-en-1-one?
3-methyl-1-(1-morpholin-4-ylcyclopentyl)but-3-en-1-one has a molecular weight of 237.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-morpholin-4-ylcyclopentyl)but-3-en-1-one is sourced from PubChem (CID 79179560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).