4-(2,3,3,4,4,5,5,6,6-nonadeuteriocyclohexen-1-yl)morpholine

C10H17NO — CID 171402709

IUPAC4-(2,3,3,4,4,5,5,6,6-nonadeuteriocyclohexen-1-yl)morpholine
SMILES[2H]C1=C(N2CCOCC2)C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C10H17NO/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h4H,1-3,5-9H2/i1D2,2D2,3D2,4D,5D2
InChIKeyIIQFBBQJYPGOHJ-YQNZMIAESA-N
MW176.31 g/mol
LogP1.78
Rot. Bonds1

About 4-(2,3,3,4,4,5,5,6,6-nonadeuteriocyclohexen-1-yl)morpholine

4-(2,3,3,4,4,5,5,6,6-nonadeuteriocyclohexen-1-yl)morpholine (PubChem CID 171402709) has the molecular formula C10H17NO and a molecular weight of 176.31 g/mol. Its IUPAC name is 4-(2,3,3,4,4,5,5,6,6-nonadeuteriocyclohexen-1-yl)morpholine.

Molecular Properties

Compound Name4-(2,3,3,4,4,5,5,6,6-nonadeuteriocyclohexen-1-yl)morpholine
PubChem CID171402709
Molecular FormulaC10H17NO
Molecular Weight176.31 g/mol
Exact Mass176.19
IUPAC Name4-(2,3,3,4,4,5,5,6,6-nonadeuteriocyclohexen-1-yl)morpholine
SMILES[2H]C1=C(N2CCOCC2)C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C10H17NO/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h4H,1-3,5-9H2/i1D2,2D2,3D2,4D,5D2
InChIKeyIIQFBBQJYPGOHJ-YQNZMIAESA-N
XLogP1.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.31
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,3,4,4,5,5,6,6-nonadeuteriocyclohexen-1-yl)morpholine?
The IUPAC name of 4-(2,3,3,4,4,5,5,6,6-nonadeuteriocyclohexen-1-yl)morpholine (CID 171402709) is 4-(2,3,3,4,4,5,5,6,6-nonadeuteriocyclohexen-1-yl)morpholine.
What is the SMILES notation for 4-(2,3,3,4,4,5,5,6,6-nonadeuteriocyclohexen-1-yl)morpholine?
The canonical SMILES for 4-(2,3,3,4,4,5,5,6,6-nonadeuteriocyclohexen-1-yl)morpholine is [2H]C1=C(N2CCOCC2)C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H].
What is the InChIKey of 4-(2,3,3,4,4,5,5,6,6-nonadeuteriocyclohexen-1-yl)morpholine?
The InChIKey is IIQFBBQJYPGOHJ-YQNZMIAESA-N. The full InChI is InChI=1S/C10H17NO/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h4H,1-3,5-9H2/i1D2,2D2,3D2,4D,5D2.
What are the key properties of 4-(2,3,3,4,4,5,5,6,6-nonadeuteriocyclohexen-1-yl)morpholine?
4-(2,3,3,4,4,5,5,6,6-nonadeuteriocyclohexen-1-yl)morpholine has a molecular weight of 176.31 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,3,4,4,5,5,6,6-nonadeuteriocyclohexen-1-yl)morpholine is sourced from PubChem (CID 171402709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).