1-morpholin-4-yl(113C)propan-2-(18O)one;1-morpholin-4-yl(213C)propan-2-(18O)one;1-(18O)morpholin-4-yl(113C)propan-2-one;1-(18O)morpholin-4-yl(213C)propan-2-one

C28H52N4O8 — CID 159117929

IUPAC1-morpholin-4-yl(113C)propan-2-(18O)one;1-morpholin-4-yl(213C)propan-2-(18O)one;1-(18O)morpholin-4-yl(113C)propan-2-one;1-(18O)morpholin-4-yl(213C)propan-2-one
SMILESCC(=O)[13CH2]N1CC[18O]CC1.CC(=[18O])[13CH2]N1CCOCC1.C[13C](=O)CN1CC[18O]CC1.C[13C](=[18O])CN1CCOCC1
InChIInChI=1S/4C7H13NO2/c4*1-7(9)6-8-2-4-10-5-3-8/h4*2-6H2,1H3/i7+1,10+2;7+1,9+2;6+1,10+2;6+1,9+2
InChIKeyKFHWWOQBLKXQBO-VINVGWHCSA-N
MW584.71 g/mol
LogP-0.37
Rot. Bonds8

About 1-morpholin-4-yl(113C)propan-2-(18O)one;1-morpholin-4-yl(213C)propan-2-(18O)one;1-(18O)morpholin-4-yl(113C)propan-2-one;1-(18O)morpholin-4-yl(213C)propan-2-one

1-morpholin-4-yl(113C)propan-2-(18O)one;1-morpholin-4-yl(213C)propan-2-(18O)one;1-(18O)morpholin-4-yl(113C)propan-2-one;1-(18O)morpholin-4-yl(213C)propan-2-one (PubChem CID 159117929) has the molecular formula C28H52N4O8 and a molecular weight of 584.71 g/mol. Its IUPAC name is 1-morpholin-4-yl(113C)propan-2-(18O)one;1-morpholin-4-yl(213C)propan-2-(18O)one;1-(18O)morpholin-4-yl(113C)propan-2-one;1-(18O)morpholin-4-yl(213C)propan-2-one.

Molecular Properties

Compound Name1-morpholin-4-yl(113C)propan-2-(18O)one;1-morpholin-4-yl(213C)propan-2-(18O)one;1-(18O)morpholin-4-yl(113C)propan-2-one;1-(18O)morpholin-4-yl(213C)propan-2-one
PubChem CID159117929
Molecular FormulaC28H52N4O8
Molecular Weight584.71 g/mol
Exact Mass584.41
IUPAC Name1-morpholin-4-yl(113C)propan-2-(18O)one;1-morpholin-4-yl(213C)propan-2-(18O)one;1-(18O)morpholin-4-yl(113C)propan-2-one;1-(18O)morpholin-4-yl(213C)propan-2-one
SMILESCC(=O)[13CH2]N1CC[18O]CC1.CC(=[18O])[13CH2]N1CCOCC1.C[13C](=O)CN1CC[18O]CC1.C[13C](=[18O])CN1CCOCC1
InChIInChI=1S/4C7H13NO2/c4*1-7(9)6-8-2-4-10-5-3-8/h4*2-6H2,1H3/i7+1,10+2;7+1,9+2;6+1,10+2;6+1,9+2
InChIKeyKFHWWOQBLKXQBO-VINVGWHCSA-N
XLogP-0.37
TPSA118.16 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.71
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1-morpholin-4-yl(113C)propan-2-(18O)one;1-morpholin-4-yl(213C)propan-2-(18O)one;1-(18O)morpholin-4-yl(113C)propan-2-one;1-(18O)morpholin-4-yl(213C)propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl(113C)propan-2-(18O)one;1-morpholin-4-yl(213C)propan-2-(18O)one;1-(18O)morpholin-4-yl(113C)propan-2-one;1-(18O)morpholin-4-yl(213C)propan-2-one?
The IUPAC name of 1-morpholin-4-yl(113C)propan-2-(18O)one;1-morpholin-4-yl(213C)propan-2-(18O)one;1-(18O)morpholin-4-yl(113C)propan-2-one;1-(18O)morpholin-4-yl(213C)propan-2-one (CID 159117929) is 1-morpholin-4-yl(113C)propan-2-(18O)one;1-morpholin-4-yl(213C)propan-2-(18O)one;1-(18O)morpholin-4-yl(113C)propan-2-one;1-(18O)morpholin-4-yl(213C)propan-2-one.
What is the SMILES notation for 1-morpholin-4-yl(113C)propan-2-(18O)one;1-morpholin-4-yl(213C)propan-2-(18O)one;1-(18O)morpholin-4-yl(113C)propan-2-one;1-(18O)morpholin-4-yl(213C)propan-2-one?
The canonical SMILES for 1-morpholin-4-yl(113C)propan-2-(18O)one;1-morpholin-4-yl(213C)propan-2-(18O)one;1-(18O)morpholin-4-yl(113C)propan-2-one;1-(18O)morpholin-4-yl(213C)propan-2-one is CC(=O)[13CH2]N1CC[18O]CC1.CC(=[18O])[13CH2]N1CCOCC1.C[13C](=O)CN1CC[18O]CC1.C[13C](=[18O])CN1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl(113C)propan-2-(18O)one;1-morpholin-4-yl(213C)propan-2-(18O)one;1-(18O)morpholin-4-yl(113C)propan-2-one;1-(18O)morpholin-4-yl(213C)propan-2-one?
The InChIKey is KFHWWOQBLKXQBO-VINVGWHCSA-N. The full InChI is InChI=1S/4C7H13NO2/c4*1-7(9)6-8-2-4-10-5-3-8/h4*2-6H2,1H3/i7+1,10+2;7+1,9+2;6+1,10+2;6+1,9+2.
What are the key properties of 1-morpholin-4-yl(113C)propan-2-(18O)one;1-morpholin-4-yl(213C)propan-2-(18O)one;1-(18O)morpholin-4-yl(113C)propan-2-one;1-(18O)morpholin-4-yl(213C)propan-2-one?
1-morpholin-4-yl(113C)propan-2-(18O)one;1-morpholin-4-yl(213C)propan-2-(18O)one;1-(18O)morpholin-4-yl(113C)propan-2-one;1-(18O)morpholin-4-yl(213C)propan-2-one has a molecular weight of 584.71 g/mol, XLogP of -0.37, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl(113C)propan-2-(18O)one;1-morpholin-4-yl(213C)propan-2-(18O)one;1-(18O)morpholin-4-yl(113C)propan-2-one;1-(18O)morpholin-4-yl(213C)propan-2-one is sourced from PubChem (CID 159117929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).