1-morpholin-3-ylhex-4-yn-1-one

C10H15NO2 — CID 116576446

IUPAC1-morpholin-3-ylhex-4-yn-1-one
SMILESCC#CCCC(=O)C1COCCN1
InChIInChI=1S/C10H15NO2/c1-2-3-4-5-10(12)9-8-13-7-6-11-9/h9,11H,4-8H2,1H3
InChIKeyCPSLCIWOXQRQGK-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.35
Rot. Bonds3

About 1-morpholin-3-ylhex-4-yn-1-one

1-morpholin-3-ylhex-4-yn-1-one (PubChem CID 116576446) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-morpholin-3-ylhex-4-yn-1-one.

Molecular Properties

Compound Name1-morpholin-3-ylhex-4-yn-1-one
PubChem CID116576446
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1-morpholin-3-ylhex-4-yn-1-one
SMILESCC#CCCC(=O)C1COCCN1
InChIInChI=1S/C10H15NO2/c1-2-3-4-5-10(12)9-8-13-7-6-11-9/h9,11H,4-8H2,1H3
InChIKeyCPSLCIWOXQRQGK-UHFFFAOYSA-N
XLogP0.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-1-morpholin-3-ylpropan-1-one
CID 116576372
1-morpholin-3-ylpropan-1-one
CID 54487560
ethane;morpholine-3-carboxylic acid
CID 144576497
(3R)-N-ethylmorpholine-3-carboxamide
CID 96578732
trimethylsilylmethyl (3R)-morpholine-3-carboxylate
CID 124636413
(3S)-morpholine-3-carboxylic acid;hydrochloride
CID 42614332
ethyl (3R)-morpholine-3-carboxylate
CID 46839508
3-(1-methylimidazol-2-yl)-1-morpholin-3-ylpropan-1-one
CID 114533270
methyl (3S)-morpholine-3-carboxylate;hydrochloride
CID 42614245
2-(2-methyltetrazol-5-yl)-1-morpholin-3-ylethanone
CID 107062100
N-methylsulfonylmorpholine-3-carboxamide
CID 103287575
2-(3,4-dichlorophenyl)-1-morpholin-3-ylethanone
CID 116576172

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-3-ylhex-4-yn-1-one?
The IUPAC name of 1-morpholin-3-ylhex-4-yn-1-one (CID 116576446) is 1-morpholin-3-ylhex-4-yn-1-one.
What is the SMILES notation for 1-morpholin-3-ylhex-4-yn-1-one?
The canonical SMILES for 1-morpholin-3-ylhex-4-yn-1-one is CC#CCCC(=O)C1COCCN1.
What is the InChIKey of 1-morpholin-3-ylhex-4-yn-1-one?
The InChIKey is CPSLCIWOXQRQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-3-4-5-10(12)9-8-13-7-6-11-9/h9,11H,4-8H2,1H3.
What are the key properties of 1-morpholin-3-ylhex-4-yn-1-one?
1-morpholin-3-ylhex-4-yn-1-one has a molecular weight of 181.23 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-3-ylhex-4-yn-1-one is sourced from PubChem (CID 116576446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).