1-morpholin-4-yl-2-(oxan-2-yloxy)propan-1-one

C12H21NO4 — CID 22645525

IUPAC1-morpholin-4-yl-2-(oxan-2-yloxy)propan-1-one
SMILESCC(OC1CCCCO1)C(=O)N1CCOCC1
InChIInChI=1S/C12H21NO4/c1-10(17-11-4-2-3-7-16-11)12(14)13-5-8-15-9-6-13/h10-11H,2-9H2,1H3
InChIKeyANFZGSBFEPFDNR-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.78
Rot. Bonds3

About 1-morpholin-4-yl-2-(oxan-2-yloxy)propan-1-one

1-morpholin-4-yl-2-(oxan-2-yloxy)propan-1-one (PubChem CID 22645525) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(oxan-2-yloxy)propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(oxan-2-yloxy)propan-1-one
PubChem CID22645525
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name1-morpholin-4-yl-2-(oxan-2-yloxy)propan-1-one
SMILESCC(OC1CCCCO1)C(=O)N1CCOCC1
InChIInChI=1S/C12H21NO4/c1-10(17-11-4-2-3-7-16-11)12(14)13-5-8-15-9-6-13/h10-11H,2-9H2,1H3
InChIKeyANFZGSBFEPFDNR-UHFFFAOYSA-N
XLogP0.78
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(oxan-2-yloxy)propan-1-one?
The IUPAC name of 1-morpholin-4-yl-2-(oxan-2-yloxy)propan-1-one (CID 22645525) is 1-morpholin-4-yl-2-(oxan-2-yloxy)propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-2-(oxan-2-yloxy)propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-2-(oxan-2-yloxy)propan-1-one is CC(OC1CCCCO1)C(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-(oxan-2-yloxy)propan-1-one?
The InChIKey is ANFZGSBFEPFDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-10(17-11-4-2-3-7-16-11)12(14)13-5-8-15-9-6-13/h10-11H,2-9H2,1H3.
What are the key properties of 1-morpholin-4-yl-2-(oxan-2-yloxy)propan-1-one?
1-morpholin-4-yl-2-(oxan-2-yloxy)propan-1-one has a molecular weight of 243.30 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(oxan-2-yloxy)propan-1-one is sourced from PubChem (CID 22645525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).