10-morpholin-4-yldeca-3,5,7,9-tetrayn-2-one

C14H11NO2 — CID 102421979

IUPAC10-morpholin-4-yldeca-3,5,7,9-tetrayn-2-one
SMILESCC(=O)C#CC#CC#CC#CN1CCOCC1
InChIInChI=1S/C14H11NO2/c1-14(16)8-6-4-2-3-5-7-9-15-10-12-17-13-11-15/h10-13H2,1H3
InChIKeySYCHCRWVZBVNDK-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.12
Rot. Bonds

About 10-morpholin-4-yldeca-3,5,7,9-tetrayn-2-one

10-morpholin-4-yldeca-3,5,7,9-tetrayn-2-one (PubChem CID 102421979) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 10-morpholin-4-yldeca-3,5,7,9-tetrayn-2-one.

Molecular Properties

Compound Name10-morpholin-4-yldeca-3,5,7,9-tetrayn-2-one
PubChem CID102421979
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name10-morpholin-4-yldeca-3,5,7,9-tetrayn-2-one
SMILESCC(=O)C#CC#CC#CC#CN1CCOCC1
InChIInChI=1S/C14H11NO2/c1-14(16)8-6-4-2-3-5-7-9-15-10-12-17-13-11-15/h10-13H2,1H3
InChIKeySYCHCRWVZBVNDK-UHFFFAOYSA-N
XLogP-0.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 5-morpholin-4-ylpenta-2,4-diynoate
CID 12708947
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CID 102421981
1-(5-bromo-2-methylphenyl)-3-morpholin-4-ylprop-2-yn-1-one
CID 116825831
1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
CID 20707611
1-(5-acetyl-1,4,5-oxadiazepan-4-yl)ethanone
CID 11735587
1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone
CID 10335257
1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
CID 949153
4-(2-methylsulfanylethynyl)morpholine
CID 134875965
3-morpholin-4-yl-1-(4-propan-2-ylphenyl)prop-2-yn-1-one
CID 116825789
1,4-dioxane;propan-2-one
CID 22407776
3-morpholin-4-yl-1-naphthalen-2-ylprop-2-yn-1-one
CID 116825850
2-imino-1-morpholin-4-ylpropan-1-one
CID 171555876

Frequently Asked Questions

What is the IUPAC name of 10-morpholin-4-yldeca-3,5,7,9-tetrayn-2-one?
The IUPAC name of 10-morpholin-4-yldeca-3,5,7,9-tetrayn-2-one (CID 102421979) is 10-morpholin-4-yldeca-3,5,7,9-tetrayn-2-one.
What is the SMILES notation for 10-morpholin-4-yldeca-3,5,7,9-tetrayn-2-one?
The canonical SMILES for 10-morpholin-4-yldeca-3,5,7,9-tetrayn-2-one is CC(=O)C#CC#CC#CC#CN1CCOCC1.
What is the InChIKey of 10-morpholin-4-yldeca-3,5,7,9-tetrayn-2-one?
The InChIKey is SYCHCRWVZBVNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c1-14(16)8-6-4-2-3-5-7-9-15-10-12-17-13-11-15/h10-13H2,1H3.
What are the key properties of 10-morpholin-4-yldeca-3,5,7,9-tetrayn-2-one?
10-morpholin-4-yldeca-3,5,7,9-tetrayn-2-one has a molecular weight of 225.25 g/mol, XLogP of -0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-morpholin-4-yldeca-3,5,7,9-tetrayn-2-one is sourced from PubChem (CID 102421979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).