3-[2-(oxan-3-ylidene)propyl]morpholine

C12H21NO2 — CID 107138037

IUPAC3-[2-(oxan-3-ylidene)propyl]morpholine
SMILESCC(CC1COCCN1)=C1CCCOC1
InChIInChI=1S/C12H21NO2/c1-10(11-3-2-5-14-8-11)7-12-9-15-6-4-13-12/h12-13H,2-9H2,1H3
InChIKeyDZFSZWRICDIULV-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.49
Rot. Bonds2

About 3-[2-(oxan-3-ylidene)propyl]morpholine

3-[2-(oxan-3-ylidene)propyl]morpholine (PubChem CID 107138037) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-[2-(oxan-3-ylidene)propyl]morpholine.

Molecular Properties

Compound Name3-[2-(oxan-3-ylidene)propyl]morpholine
PubChem CID107138037
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-[2-(oxan-3-ylidene)propyl]morpholine
SMILESCC(CC1COCCN1)=C1CCCOC1
InChIInChI=1S/C12H21NO2/c1-10(11-3-2-5-14-8-11)7-12-9-15-6-4-13-12/h12-13H,2-9H2,1H3
InChIKeyDZFSZWRICDIULV-UHFFFAOYSA-N
XLogP1.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxan-3-ylidene)propyl]morpholine?
The IUPAC name of 3-[2-(oxan-3-ylidene)propyl]morpholine (CID 107138037) is 3-[2-(oxan-3-ylidene)propyl]morpholine.
What is the SMILES notation for 3-[2-(oxan-3-ylidene)propyl]morpholine?
The canonical SMILES for 3-[2-(oxan-3-ylidene)propyl]morpholine is CC(CC1COCCN1)=C1CCCOC1.
What is the InChIKey of 3-[2-(oxan-3-ylidene)propyl]morpholine?
The InChIKey is DZFSZWRICDIULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10(11-3-2-5-14-8-11)7-12-9-15-6-4-13-12/h12-13H,2-9H2,1H3.
What are the key properties of 3-[2-(oxan-3-ylidene)propyl]morpholine?
3-[2-(oxan-3-ylidene)propyl]morpholine has a molecular weight of 211.30 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxan-3-ylidene)propyl]morpholine is sourced from PubChem (CID 107138037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).