4-[(E)-2-(imidazolidin-2-ylmethyl)but-2-enyl]morpholine

C12H23N3O — CID 70025512

IUPAC4-[(E)-2-(imidazolidin-2-ylmethyl)but-2-enyl]morpholine
SMILESC/C=C(\CC1NCCN1)CN1CCOCC1
InChIInChI=1S/C12H23N3O/c1-2-11(9-12-13-3-4-14-12)10-15-5-7-16-8-6-15/h2,12-14H,3-10H2,1H3/b11-2+
InChIKeyHDFQKPXPTOSGDP-BIIKFXOESA-N
MW225.34 g/mol
LogP0.17
Rot. Bonds4

About 4-[(E)-2-(imidazolidin-2-ylmethyl)but-2-enyl]morpholine

4-[(E)-2-(imidazolidin-2-ylmethyl)but-2-enyl]morpholine (PubChem CID 70025512) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-[(E)-2-(imidazolidin-2-ylmethyl)but-2-enyl]morpholine.

Molecular Properties

Compound Name4-[(E)-2-(imidazolidin-2-ylmethyl)but-2-enyl]morpholine
PubChem CID70025512
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-[(E)-2-(imidazolidin-2-ylmethyl)but-2-enyl]morpholine
SMILESC/C=C(\CC1NCCN1)CN1CCOCC1
InChIInChI=1S/C12H23N3O/c1-2-11(9-12-13-3-4-14-12)10-15-5-7-16-8-6-15/h2,12-14H,3-10H2,1H3/b11-2+
InChIKeyHDFQKPXPTOSGDP-BIIKFXOESA-N
XLogP0.17
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-[(E)-2-(imidazolidin-2-ylmethyl)but-2-enyl]morpholine?
The IUPAC name of 4-[(E)-2-(imidazolidin-2-ylmethyl)but-2-enyl]morpholine (CID 70025512) is 4-[(E)-2-(imidazolidin-2-ylmethyl)but-2-enyl]morpholine.
What is the SMILES notation for 4-[(E)-2-(imidazolidin-2-ylmethyl)but-2-enyl]morpholine?
The canonical SMILES for 4-[(E)-2-(imidazolidin-2-ylmethyl)but-2-enyl]morpholine is C/C=C(\CC1NCCN1)CN1CCOCC1.
What is the InChIKey of 4-[(E)-2-(imidazolidin-2-ylmethyl)but-2-enyl]morpholine?
The InChIKey is HDFQKPXPTOSGDP-BIIKFXOESA-N. The full InChI is InChI=1S/C12H23N3O/c1-2-11(9-12-13-3-4-14-12)10-15-5-7-16-8-6-15/h2,12-14H,3-10H2,1H3/b11-2+.
What are the key properties of 4-[(E)-2-(imidazolidin-2-ylmethyl)but-2-enyl]morpholine?
4-[(E)-2-(imidazolidin-2-ylmethyl)but-2-enyl]morpholine has a molecular weight of 225.34 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(imidazolidin-2-ylmethyl)but-2-enyl]morpholine is sourced from PubChem (CID 70025512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).