4-[3-(4-methylcyclohex-3-en-1-yl)oxiran-2-yl]morpholine

C13H21NO2 — CID 126593941

IUPAC4-[3-(4-methylcyclohex-3-en-1-yl)oxiran-2-yl]morpholine
SMILESCC1=CCC(C2OC2N2CCOCC2)CC1
InChIInChI=1S/C13H21NO2/c1-10-2-4-11(5-3-10)12-13(16-12)14-6-8-15-9-7-14/h2,11-13H,3-9H2,1H3
InChIKeyKTIOVJAAFVIUAV-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.79
Rot. Bonds2

About 4-[3-(4-methylcyclohex-3-en-1-yl)oxiran-2-yl]morpholine

4-[3-(4-methylcyclohex-3-en-1-yl)oxiran-2-yl]morpholine (PubChem CID 126593941) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-[3-(4-methylcyclohex-3-en-1-yl)oxiran-2-yl]morpholine.

Molecular Properties

Compound Name4-[3-(4-methylcyclohex-3-en-1-yl)oxiran-2-yl]morpholine
PubChem CID126593941
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-[3-(4-methylcyclohex-3-en-1-yl)oxiran-2-yl]morpholine
SMILESCC1=CCC(C2OC2N2CCOCC2)CC1
InChIInChI=1S/C13H21NO2/c1-10-2-4-11(5-3-10)12-13(16-12)14-6-8-15-9-7-14/h2,11-13H,3-9H2,1H3
InChIKeyKTIOVJAAFVIUAV-UHFFFAOYSA-N
XLogP1.79
TPSA25.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylcyclohex-3-en-1-yl)oxiran-2-yl]morpholine?
The IUPAC name of 4-[3-(4-methylcyclohex-3-en-1-yl)oxiran-2-yl]morpholine (CID 126593941) is 4-[3-(4-methylcyclohex-3-en-1-yl)oxiran-2-yl]morpholine.
What is the SMILES notation for 4-[3-(4-methylcyclohex-3-en-1-yl)oxiran-2-yl]morpholine?
The canonical SMILES for 4-[3-(4-methylcyclohex-3-en-1-yl)oxiran-2-yl]morpholine is CC1=CCC(C2OC2N2CCOCC2)CC1.
What is the InChIKey of 4-[3-(4-methylcyclohex-3-en-1-yl)oxiran-2-yl]morpholine?
The InChIKey is KTIOVJAAFVIUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10-2-4-11(5-3-10)12-13(16-12)14-6-8-15-9-7-14/h2,11-13H,3-9H2,1H3.
What are the key properties of 4-[3-(4-methylcyclohex-3-en-1-yl)oxiran-2-yl]morpholine?
4-[3-(4-methylcyclohex-3-en-1-yl)oxiran-2-yl]morpholine has a molecular weight of 223.32 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylcyclohex-3-en-1-yl)oxiran-2-yl]morpholine is sourced from PubChem (CID 126593941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).