trans-(2R,5R)-2,5-dimorpholin-4-ylcyclohexane-1,4-dione

C14H22N2O4 — CID 92857455

IUPACtrans-(2R,5R)-2,5-dimorpholin-4-ylcyclohexane-1,4-dione
SMILESO=C1C[C@@H](N2CCOCC2)C(=O)C[C@H]1N1CCOCC1
InChIInChI=1S/C14H22N2O4/c17-13-10-12(16-3-7-20-8-4-16)14(18)9-11(13)15-1-5-19-6-2-15/h11-12H,1-10H2/t11-,12-/m1/s1
InChIKeySLTSBSGSKGDHQC-VXGBXAGGSA-N
MW282.34 g/mol
LogP-0.68
Rot. Bonds2

About trans-(2R,5R)-2,5-dimorpholin-4-ylcyclohexane-1,4-dione

trans-(2R,5R)-2,5-dimorpholin-4-ylcyclohexane-1,4-dione (PubChem CID 92857455) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is trans-(2R,5R)-2,5-dimorpholin-4-ylcyclohexane-1,4-dione.

Molecular Properties

Compound Nametrans-(2R,5R)-2,5-dimorpholin-4-ylcyclohexane-1,4-dione
PubChem CID92857455
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Nametrans-(2R,5R)-2,5-dimorpholin-4-ylcyclohexane-1,4-dione
SMILESO=C1C[C@@H](N2CCOCC2)C(=O)C[C@H]1N1CCOCC1
InChIInChI=1S/C14H22N2O4/c17-13-10-12(16-3-7-20-8-4-16)14(18)9-11(13)15-1-5-19-6-2-15/h11-12H,1-10H2/t11-,12-/m1/s1
InChIKeySLTSBSGSKGDHQC-VXGBXAGGSA-N
XLogP-0.68
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of trans-(2R,5R)-2,5-dimorpholin-4-ylcyclohexane-1,4-dione?
The IUPAC name of trans-(2R,5R)-2,5-dimorpholin-4-ylcyclohexane-1,4-dione (CID 92857455) is trans-(2R,5R)-2,5-dimorpholin-4-ylcyclohexane-1,4-dione.
What is the SMILES notation for trans-(2R,5R)-2,5-dimorpholin-4-ylcyclohexane-1,4-dione?
The canonical SMILES for trans-(2R,5R)-2,5-dimorpholin-4-ylcyclohexane-1,4-dione is O=C1C[C@@H](N2CCOCC2)C(=O)C[C@H]1N1CCOCC1.
What is the InChIKey of trans-(2R,5R)-2,5-dimorpholin-4-ylcyclohexane-1,4-dione?
The InChIKey is SLTSBSGSKGDHQC-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H22N2O4/c17-13-10-12(16-3-7-20-8-4-16)14(18)9-11(13)15-1-5-19-6-2-15/h11-12H,1-10H2/t11-,12-/m1/s1.
What are the key properties of trans-(2R,5R)-2,5-dimorpholin-4-ylcyclohexane-1,4-dione?
trans-(2R,5R)-2,5-dimorpholin-4-ylcyclohexane-1,4-dione has a molecular weight of 282.34 g/mol, XLogP of -0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,5R)-2,5-dimorpholin-4-ylcyclohexane-1,4-dione is sourced from PubChem (CID 92857455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).