4-decylmorpholin-3-one

C14H27NO2 — CID 154372852

IUPAC4-decylmorpholin-3-one
SMILESCCCCCCCCCCN1CCOCC1=O
InChIInChI=1S/C14H27NO2/c1-2-3-4-5-6-7-8-9-10-15-11-12-17-13-14(15)16/h2-13H2,1H3
InChIKeyPPVUKFOSJIGVER-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.99
Rot. Bonds9

About 4-decylmorpholin-3-one

4-decylmorpholin-3-one (PubChem CID 154372852) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-decylmorpholin-3-one.

Molecular Properties

Compound Name4-decylmorpholin-3-one
PubChem CID154372852
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-decylmorpholin-3-one
SMILESCCCCCCCCCCN1CCOCC1=O
InChIInChI=1S/C14H27NO2/c1-2-3-4-5-6-7-8-9-10-15-11-12-17-13-14(15)16/h2-13H2,1H3
InChIKeyPPVUKFOSJIGVER-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-octadecyl-1,3-oxazolidin-2-one
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4-octylmorpholine-3,5-dione
CID 70621864
4-(3-methylbutyl)morpholin-3-one
CID 58222536
4-(3-azidopropyl)morpholin-3-one
CID 79468398
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 4-decylmorpholin-3-one?
The IUPAC name of 4-decylmorpholin-3-one (CID 154372852) is 4-decylmorpholin-3-one.
What is the SMILES notation for 4-decylmorpholin-3-one?
The canonical SMILES for 4-decylmorpholin-3-one is CCCCCCCCCCN1CCOCC1=O.
What is the InChIKey of 4-decylmorpholin-3-one?
The InChIKey is PPVUKFOSJIGVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-3-4-5-6-7-8-9-10-15-11-12-17-13-14(15)16/h2-13H2,1H3.
What are the key properties of 4-decylmorpholin-3-one?
4-decylmorpholin-3-one has a molecular weight of 241.37 g/mol, XLogP of 2.99, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decylmorpholin-3-one is sourced from PubChem (CID 154372852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).