4-[(E)-3-pentoxyprop-2-enyl]morpholine

C12H23NO2 — CID 5354209

IUPAC4-[(E)-3-pentoxyprop-2-enyl]morpholine
SMILESCCCCCO/C=C/CN1CCOCC1
InChIInChI=1S/C12H23NO2/c1-2-3-4-9-14-10-5-6-13-7-11-15-12-8-13/h5,10H,2-4,6-9,11-12H2,1H3/b10-5+
InChIKeyDLGWOOVMZICLKI-BJMVGYQFSA-N
MW213.32 g/mol
LogP2.04
Rot. Bonds7

About 4-[(E)-3-pentoxyprop-2-enyl]morpholine

4-[(E)-3-pentoxyprop-2-enyl]morpholine (PubChem CID 5354209) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-[(E)-3-pentoxyprop-2-enyl]morpholine.

Molecular Properties

Compound Name4-[(E)-3-pentoxyprop-2-enyl]morpholine
PubChem CID5354209
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-[(E)-3-pentoxyprop-2-enyl]morpholine
SMILESCCCCCO/C=C/CN1CCOCC1
InChIInChI=1S/C12H23NO2/c1-2-3-4-9-14-10-5-6-13-7-11-15-12-8-13/h5,10H,2-4,6-9,11-12H2,1H3/b10-5+
InChIKeyDLGWOOVMZICLKI-BJMVGYQFSA-N
XLogP2.04
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-pentoxyprop-2-enyl]morpholine?
The IUPAC name of 4-[(E)-3-pentoxyprop-2-enyl]morpholine (CID 5354209) is 4-[(E)-3-pentoxyprop-2-enyl]morpholine.
What is the SMILES notation for 4-[(E)-3-pentoxyprop-2-enyl]morpholine?
The canonical SMILES for 4-[(E)-3-pentoxyprop-2-enyl]morpholine is CCCCCO/C=C/CN1CCOCC1.
What is the InChIKey of 4-[(E)-3-pentoxyprop-2-enyl]morpholine?
The InChIKey is DLGWOOVMZICLKI-BJMVGYQFSA-N. The full InChI is InChI=1S/C12H23NO2/c1-2-3-4-9-14-10-5-6-13-7-11-15-12-8-13/h5,10H,2-4,6-9,11-12H2,1H3/b10-5+.
What are the key properties of 4-[(E)-3-pentoxyprop-2-enyl]morpholine?
4-[(E)-3-pentoxyprop-2-enyl]morpholine has a molecular weight of 213.32 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-pentoxyprop-2-enyl]morpholine is sourced from PubChem (CID 5354209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).