(3S)-3-cyclohexyl-1-morpholin-4-ylpent-4-yn-1-one

C15H23NO2 — CID 158274360

IUPAC(3S)-3-cyclohexyl-1-morpholin-4-ylpent-4-yn-1-one
SMILESC#C[C@@H](CC(=O)N1CCOCC1)C1CCCCC1
InChIInChI=1S/C15H23NO2/c1-2-13(14-6-4-3-5-7-14)12-15(17)16-8-10-18-11-9-16/h1,13-14H,3-12H2/t13-/m0/s1
InChIKeyADFLRGGFUDGBDH-ZDUSSCGKSA-N
MW249.35 g/mol
LogP2.07
Rot. Bonds3

About (3S)-3-cyclohexyl-1-morpholin-4-ylpent-4-yn-1-one

(3S)-3-cyclohexyl-1-morpholin-4-ylpent-4-yn-1-one (PubChem CID 158274360) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (3S)-3-cyclohexyl-1-morpholin-4-ylpent-4-yn-1-one.

Molecular Properties

Compound Name(3S)-3-cyclohexyl-1-morpholin-4-ylpent-4-yn-1-one
PubChem CID158274360
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(3S)-3-cyclohexyl-1-morpholin-4-ylpent-4-yn-1-one
SMILESC#C[C@@H](CC(=O)N1CCOCC1)C1CCCCC1
InChIInChI=1S/C15H23NO2/c1-2-13(14-6-4-3-5-7-14)12-15(17)16-8-10-18-11-9-16/h1,13-14H,3-12H2/t13-/m0/s1
InChIKeyADFLRGGFUDGBDH-ZDUSSCGKSA-N
XLogP2.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanal
CID 142042653
2-[[(1S)-1-cyclohexylethyl]amino]-1-morpholin-4-ylethanone
CID 81385307
2-(cyclohexylmethylamino)-1-morpholin-4-ylethanone
CID 21468665
1-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)urea
CID 47277900
1-(azepan-1-yl)-2-(oxan-4-ylamino)ethanone
CID 43610166
2-chloro-1-morpholin-4-ylethanone;2-chloro-1-piperidin-1-ylethanone
CID 21435705
2-[2-(2-hydroxypropyl)azepan-1-yl]-1-morpholin-4-ylethanone
CID 114338646
(2R)-2-[4-[(1S)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]triazol-1-yl]propanenitrile
CID 148615259
2-amino-2-cyclopentyl-1-morpholin-4-ylethanone
CID 54288734
2-(2-cyclohexylethylamino)-1-morpholin-4-ylethanone
CID 54932421
(2S)-2-cyclohexyl-4-methyl-1-morpholin-4-ylpentan-1-one
CID 159145676
(2S)-3-cyclohexyl-2-hydroxy-1-morpholin-4-ylpropan-1-one
CID 59949122

Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclohexyl-1-morpholin-4-ylpent-4-yn-1-one?
The IUPAC name of (3S)-3-cyclohexyl-1-morpholin-4-ylpent-4-yn-1-one (CID 158274360) is (3S)-3-cyclohexyl-1-morpholin-4-ylpent-4-yn-1-one.
What is the SMILES notation for (3S)-3-cyclohexyl-1-morpholin-4-ylpent-4-yn-1-one?
The canonical SMILES for (3S)-3-cyclohexyl-1-morpholin-4-ylpent-4-yn-1-one is C#C[C@@H](CC(=O)N1CCOCC1)C1CCCCC1.
What is the InChIKey of (3S)-3-cyclohexyl-1-morpholin-4-ylpent-4-yn-1-one?
The InChIKey is ADFLRGGFUDGBDH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-13(14-6-4-3-5-7-14)12-15(17)16-8-10-18-11-9-16/h1,13-14H,3-12H2/t13-/m0/s1.
What are the key properties of (3S)-3-cyclohexyl-1-morpholin-4-ylpent-4-yn-1-one?
(3S)-3-cyclohexyl-1-morpholin-4-ylpent-4-yn-1-one has a molecular weight of 249.35 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyclohexyl-1-morpholin-4-ylpent-4-yn-1-one is sourced from PubChem (CID 158274360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).