4-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)morpholine

C12H21NO3 — CID 2910612

IUPAC4-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)morpholine
SMILESC1CCC2(C1)OCC(CN1CCOCC1)O2
InChIInChI=1S/C12H21NO3/c1-2-4-12(3-1)15-10-11(16-12)9-13-5-7-14-8-6-13/h11H,1-10H2
InChIKeyXGXDCYCCRHUSNO-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.00
Rot. Bonds2

About 4-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)morpholine

4-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)morpholine (PubChem CID 2910612) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 4-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)morpholine.

Molecular Properties

Compound Name4-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)morpholine
PubChem CID2910612
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name4-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)morpholine
SMILESC1CCC2(C1)OCC(CN1CCOCC1)O2
InChIInChI=1S/C12H21NO3/c1-2-4-12(3-1)15-10-11(16-12)9-13-5-7-14-8-6-13/h11H,1-10H2
InChIKeyXGXDCYCCRHUSNO-UHFFFAOYSA-N
XLogP1.00
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)morpholine?
The IUPAC name of 4-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)morpholine (CID 2910612) is 4-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)morpholine.
What is the SMILES notation for 4-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)morpholine?
The canonical SMILES for 4-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)morpholine is C1CCC2(C1)OCC(CN1CCOCC1)O2.
What is the InChIKey of 4-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)morpholine?
The InChIKey is XGXDCYCCRHUSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-2-4-12(3-1)15-10-11(16-12)9-13-5-7-14-8-6-13/h11H,1-10H2.
What are the key properties of 4-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)morpholine?
4-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)morpholine has a molecular weight of 227.30 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)morpholine is sourced from PubChem (CID 2910612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).