4-(oxepan-4-yl)morpholine

C10H19NO2 — CID 131201603

IUPAC4-(oxepan-4-yl)morpholine
SMILESC1COCCC(N2CCOCC2)C1
InChIInChI=1S/C10H19NO2/c1-2-10(3-7-12-6-1)11-4-8-13-9-5-11/h10H,1-9H2
InChIKeyVRGFKGLYBREPQL-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.89
Rot. Bonds1

About 4-(oxepan-4-yl)morpholine

4-(oxepan-4-yl)morpholine (PubChem CID 131201603) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-(oxepan-4-yl)morpholine.

Molecular Properties

Compound Name4-(oxepan-4-yl)morpholine
PubChem CID131201603
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-(oxepan-4-yl)morpholine
SMILESC1COCCC(N2CCOCC2)C1
InChIInChI=1S/C10H19NO2/c1-2-10(3-7-12-6-1)11-4-8-13-9-5-11/h10H,1-9H2
InChIKeyVRGFKGLYBREPQL-UHFFFAOYSA-N
XLogP0.89
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopentyl-1,5-oxazocane
CID 174168377
4-cyclopropylmorpholine;ethane
CID 155594914
5-cyclononyl-1,5-oxazonane
CID 154308652
4-[(1S,4S)-4-methylcycloheptyl]morpholine
CID 143263488
1-(oxocan-4-yl)-4-propan-2-ylpiperazine
CID 146561161
4-(1-cyclopentylpiperidin-4-yl)morpholine;oxalic acid
CID 17369368
1-(oxepan-4-yl)pyrrolidine-3-carboxylic acid
CID 65080671
4-(1-sulfanylpiperidin-4-yl)morpholine
CID 123604747
4-cyclohexylmorpholine;4-ethylmorpholine
CID 90198575
4-methyl-1-(oxan-4-yl)azepane
CID 77147809
(4R)-4-methyl-1-(oxan-4-yl)azepane
CID 66580615
4-[(1R,3S)-3-methylcyclohexyl]morpholine
CID 31196445

Frequently Asked Questions

What is the IUPAC name of 4-(oxepan-4-yl)morpholine?
The IUPAC name of 4-(oxepan-4-yl)morpholine (CID 131201603) is 4-(oxepan-4-yl)morpholine.
What is the SMILES notation for 4-(oxepan-4-yl)morpholine?
The canonical SMILES for 4-(oxepan-4-yl)morpholine is C1COCCC(N2CCOCC2)C1.
What is the InChIKey of 4-(oxepan-4-yl)morpholine?
The InChIKey is VRGFKGLYBREPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-10(3-7-12-6-1)11-4-8-13-9-5-11/h10H,1-9H2.
What are the key properties of 4-(oxepan-4-yl)morpholine?
4-(oxepan-4-yl)morpholine has a molecular weight of 185.27 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxepan-4-yl)morpholine is sourced from PubChem (CID 131201603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).