4-(cyclohexen-1-yl)-4-deuteriomorpholin-4-ium

C10H18NO+ — CID 176513767

IUPAC4-(cyclohexen-1-yl)-4-deuteriomorpholin-4-ium
SMILES[2H][N+]1(C2=CCCCC2)CCOCC1
InChIInChI=1S/C10H17NO/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h4H,1-3,5-9H2/p+1/i/hD
InChIKeyIIQFBBQJYPGOHJ-DYCDLGHISA-O
MW169.27 g/mol
LogP0.36
Rot. Bonds1

About 4-(cyclohexen-1-yl)-4-deuteriomorpholin-4-ium

4-(cyclohexen-1-yl)-4-deuteriomorpholin-4-ium (PubChem CID 176513767) has the molecular formula C10H18NO+ and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)-4-deuteriomorpholin-4-ium.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)-4-deuteriomorpholin-4-ium
PubChem CID176513767
Molecular FormulaC10H18NO+
Molecular Weight169.27 g/mol
Exact Mass169.14
IUPAC Name4-(cyclohexen-1-yl)-4-deuteriomorpholin-4-ium
SMILES[2H][N+]1(C2=CCCCC2)CCOCC1
InChIInChI=1S/C10H17NO/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h4H,1-3,5-9H2/p+1/i/hD
InChIKeyIIQFBBQJYPGOHJ-DYCDLGHISA-O
XLogP0.36
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Morpholine, 4-(1-cyclohexen-1-yl)-
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1-Morpholino-1-cycloheptene
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1-Morpholinocyclododecene
CID 5371595
4-(1-Cycloocten-1-yl)morpholine
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4-(Cycloocten-1-yl)morpholine
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4-[(1Z)-cyclododecen-1-yl]morpholine
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(e)-5-Morpholino-4-nonene
CID 12725345
(e)-6-Morpholino-5-undecene
CID 13023808
Tributyl-(3-morpholin-4-ylcyclohex-2-en-1-yl)stannane
CID 14250106
1-Morpholino-1-cyclododecene
CID 77315
4-[(Z)-non-4-en-5-yl]morpholine
CID 20213106
4-(Cyclononen-1-yl)morpholine
CID 54054355

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexen-1-yl)-4-deuteriomorpholin-4-ium?
The IUPAC name of 4-(cyclohexen-1-yl)-4-deuteriomorpholin-4-ium (CID 176513767) is 4-(cyclohexen-1-yl)-4-deuteriomorpholin-4-ium.
What is the SMILES notation for 4-(cyclohexen-1-yl)-4-deuteriomorpholin-4-ium?
The canonical SMILES for 4-(cyclohexen-1-yl)-4-deuteriomorpholin-4-ium is [2H][N+]1(C2=CCCCC2)CCOCC1.
What is the InChIKey of 4-(cyclohexen-1-yl)-4-deuteriomorpholin-4-ium?
The InChIKey is IIQFBBQJYPGOHJ-DYCDLGHISA-O. 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/p+1/i/hD.
What are the key properties of 4-(cyclohexen-1-yl)-4-deuteriomorpholin-4-ium?
4-(cyclohexen-1-yl)-4-deuteriomorpholin-4-ium has a molecular weight of 169.27 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yl)-4-deuteriomorpholin-4-ium is sourced from PubChem (CID 176513767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).