1-(18O)morpholin-4-yl(113C)propan-2-one

C7H13NO2 — CID 58823345

IUPAC1-(18O)morpholin-4-yl(113C)propan-2-one
SMILESCC(=O)[13CH2]N1CC[18O]CC1
InChIInChI=1S/C7H13NO2/c1-7(9)6-8-2-4-10-5-3-8/h2-6H2,1H3/i6+1,10+2
InChIKeyLOBSVGRXQAHJDT-ZFWHRKMESA-N
MW146.18 g/mol
LogP-0.09
Rot. Bonds2

About 1-(18O)morpholin-4-yl(113C)propan-2-one

1-(18O)morpholin-4-yl(113C)propan-2-one (PubChem CID 58823345) has the molecular formula C7H13NO2 and a molecular weight of 146.18 g/mol. Its IUPAC name is 1-(18O)morpholin-4-yl(113C)propan-2-one.

Molecular Properties

Compound Name1-(18O)morpholin-4-yl(113C)propan-2-one
PubChem CID58823345
Molecular FormulaC7H13NO2
Molecular Weight146.18 g/mol
Exact Mass146.10
IUPAC Name1-(18O)morpholin-4-yl(113C)propan-2-one
SMILESCC(=O)[13CH2]N1CC[18O]CC1
InChIInChI=1S/C7H13NO2/c1-7(9)6-8-2-4-10-5-3-8/h2-6H2,1H3/i6+1,10+2
InChIKeyLOBSVGRXQAHJDT-ZFWHRKMESA-N
XLogP-0.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.18
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(18O)morpholin-4-yl(113C)propan-2-one?
The IUPAC name of 1-(18O)morpholin-4-yl(113C)propan-2-one (CID 58823345) is 1-(18O)morpholin-4-yl(113C)propan-2-one.
What is the SMILES notation for 1-(18O)morpholin-4-yl(113C)propan-2-one?
The canonical SMILES for 1-(18O)morpholin-4-yl(113C)propan-2-one is CC(=O)[13CH2]N1CC[18O]CC1.
What is the InChIKey of 1-(18O)morpholin-4-yl(113C)propan-2-one?
The InChIKey is LOBSVGRXQAHJDT-ZFWHRKMESA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(9)6-8-2-4-10-5-3-8/h2-6H2,1H3/i6+1,10+2.
What are the key properties of 1-(18O)morpholin-4-yl(113C)propan-2-one?
1-(18O)morpholin-4-yl(113C)propan-2-one has a molecular weight of 146.18 g/mol, XLogP of -0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(18O)morpholin-4-yl(113C)propan-2-one is sourced from PubChem (CID 58823345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).