1-morpholin-4-yl-9-(oxiran-2-yl)nonan-1-one

C15H27NO3 — CID 21236886

IUPAC1-morpholin-4-yl-9-(oxiran-2-yl)nonan-1-one
SMILESO=C(CCCCCCCCC1CO1)N1CCOCC1
InChIInChI=1S/C15H27NO3/c17-15(16-9-11-18-12-10-16)8-6-4-2-1-3-5-7-14-13-19-14/h14H,1-13H2
InChIKeyGCOGLUGZLCIKCI-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.36
Rot. Bonds9

About 1-morpholin-4-yl-9-(oxiran-2-yl)nonan-1-one

1-morpholin-4-yl-9-(oxiran-2-yl)nonan-1-one (PubChem CID 21236886) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-morpholin-4-yl-9-(oxiran-2-yl)nonan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-9-(oxiran-2-yl)nonan-1-one
PubChem CID21236886
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-morpholin-4-yl-9-(oxiran-2-yl)nonan-1-one
SMILESO=C(CCCCCCCCC1CO1)N1CCOCC1
InChIInChI=1S/C15H27NO3/c17-15(16-9-11-18-12-10-16)8-6-4-2-1-3-5-7-14-13-19-14/h14H,1-13H2
InChIKeyGCOGLUGZLCIKCI-UHFFFAOYSA-N
XLogP2.36
TPSA42.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-9-(oxiran-2-yl)nonan-1-one?
The IUPAC name of 1-morpholin-4-yl-9-(oxiran-2-yl)nonan-1-one (CID 21236886) is 1-morpholin-4-yl-9-(oxiran-2-yl)nonan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-9-(oxiran-2-yl)nonan-1-one?
The canonical SMILES for 1-morpholin-4-yl-9-(oxiran-2-yl)nonan-1-one is O=C(CCCCCCCCC1CO1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-9-(oxiran-2-yl)nonan-1-one?
The InChIKey is GCOGLUGZLCIKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c17-15(16-9-11-18-12-10-16)8-6-4-2-1-3-5-7-14-13-19-14/h14H,1-13H2.
What are the key properties of 1-morpholin-4-yl-9-(oxiran-2-yl)nonan-1-one?
1-morpholin-4-yl-9-(oxiran-2-yl)nonan-1-one has a molecular weight of 269.38 g/mol, XLogP of 2.36, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-9-(oxiran-2-yl)nonan-1-one is sourced from PubChem (CID 21236886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).