1-(2-propylmorpholin-4-yl)prop-2-yn-1-one

C10H15NO2 — CID 131131858

IUPAC1-(2-propylmorpholin-4-yl)prop-2-yn-1-one
SMILESC#CC(=O)N1CCOC(CCC)C1
InChIInChI=1S/C10H15NO2/c1-3-5-9-8-11(6-7-13-9)10(12)4-2/h2,9H,3,5-8H2,1H3
InChIKeyDKOSBXXPSZNQJX-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.65
Rot. Bonds2

About 1-(2-propylmorpholin-4-yl)prop-2-yn-1-one

1-(2-propylmorpholin-4-yl)prop-2-yn-1-one (PubChem CID 131131858) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(2-propylmorpholin-4-yl)prop-2-yn-1-one.

Molecular Properties

Compound Name1-(2-propylmorpholin-4-yl)prop-2-yn-1-one
PubChem CID131131858
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name1-(2-propylmorpholin-4-yl)prop-2-yn-1-one
SMILESC#CC(=O)N1CCOC(CCC)C1
InChIInChI=1S/C10H15NO2/c1-3-5-9-8-11(6-7-13-9)10(12)4-2/h2,9H,3,5-8H2,1H3
InChIKeyDKOSBXXPSZNQJX-UHFFFAOYSA-N
XLogP0.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.65
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

1-(2-propylmorpholin-4-yl)ethanone
CID 89170982
2-propylmorpholine-4-carbonyl chloride
CID 141381731
1-[(2S)-2-butylmorpholin-4-yl]ethanone
CID 155354328
1-[2-(2-hydroxyethyl)morpholin-4-yl]ethanone
CID 89469195
(2S)-N-[(1R)-cyclohex-3-en-1-yl]-2-propylmorpholine-4-carboxamide
CID 99819343
(2S)-N-[(1S)-cyclohex-3-en-1-yl]-2-propylmorpholine-4-carboxamide
CID 99819345
2-ethylmorpholine-4-carboxylic acid
CID 121455686
1-[(2R)-2-ethylmorpholin-4-yl]-2,2-dimethylpropan-1-one
CID 166684101
4-ethyl-2-propylmorpholine
CID 127673597
2-propylmorpholine-4-carbonitrile
CID 175059333
2-[4-[(R)-methylsulfinyl]phenyl]-1-[(2R)-2-propylmorpholin-4-yl]ethanone
CID 100654379
4-methyl-2-propyl-1,4-oxazepane
CID 165407409

Frequently Asked Questions

What is the IUPAC name of 1-(2-propylmorpholin-4-yl)prop-2-yn-1-one?
The IUPAC name of 1-(2-propylmorpholin-4-yl)prop-2-yn-1-one (CID 131131858) is 1-(2-propylmorpholin-4-yl)prop-2-yn-1-one.
What is the SMILES notation for 1-(2-propylmorpholin-4-yl)prop-2-yn-1-one?
The canonical SMILES for 1-(2-propylmorpholin-4-yl)prop-2-yn-1-one is C#CC(=O)N1CCOC(CCC)C1.
What is the InChIKey of 1-(2-propylmorpholin-4-yl)prop-2-yn-1-one?
The InChIKey is DKOSBXXPSZNQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-5-9-8-11(6-7-13-9)10(12)4-2/h2,9H,3,5-8H2,1H3.
What are the key properties of 1-(2-propylmorpholin-4-yl)prop-2-yn-1-one?
1-(2-propylmorpholin-4-yl)prop-2-yn-1-one has a molecular weight of 181.24 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propylmorpholin-4-yl)prop-2-yn-1-one is sourced from PubChem (CID 131131858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).