4-(oxolan-3-ylmethyl)morpholine

C9H17NO2 — CID 14323082

IUPAC4-(oxolan-3-ylmethyl)morpholine
SMILESC1CN(CC2CCOC2)CCO1
InChIInChI=1S/C9H17NO2/c1-4-12-8-9(1)7-10-2-5-11-6-3-10/h9H,1-8H2
InChIKeyFSUMIRODPVMNCP-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.36
Rot. Bonds2

About 4-(oxolan-3-ylmethyl)morpholine

4-(oxolan-3-ylmethyl)morpholine (PubChem CID 14323082) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-(oxolan-3-ylmethyl)morpholine.

Molecular Properties

Compound Name4-(oxolan-3-ylmethyl)morpholine
PubChem CID14323082
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name4-(oxolan-3-ylmethyl)morpholine
SMILESC1CN(CC2CCOC2)CCO1
InChIInChI=1S/C9H17NO2/c1-4-12-8-9(1)7-10-2-5-11-6-3-10/h9H,1-8H2
InChIKeyFSUMIRODPVMNCP-UHFFFAOYSA-N
XLogP0.36
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-ylmethyl)morpholine?
The IUPAC name of 4-(oxolan-3-ylmethyl)morpholine (CID 14323082) is 4-(oxolan-3-ylmethyl)morpholine.
What is the SMILES notation for 4-(oxolan-3-ylmethyl)morpholine?
The canonical SMILES for 4-(oxolan-3-ylmethyl)morpholine is C1CN(CC2CCOC2)CCO1.
What is the InChIKey of 4-(oxolan-3-ylmethyl)morpholine?
The InChIKey is FSUMIRODPVMNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-12-8-9(1)7-10-2-5-11-6-3-10/h9H,1-8H2.
What are the key properties of 4-(oxolan-3-ylmethyl)morpholine?
4-(oxolan-3-ylmethyl)morpholine has a molecular weight of 171.24 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-ylmethyl)morpholine is sourced from PubChem (CID 14323082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).