4-[(Z)-3-(imidazolidin-2-ylmethyl)pent-3-en-2-yl]morpholine

C13H25N3O — CID 70025394

IUPAC4-[(Z)-3-(imidazolidin-2-ylmethyl)pent-3-en-2-yl]morpholine
SMILESC/C=C(/CC1NCCN1)C(C)N1CCOCC1
InChIInChI=1S/C13H25N3O/c1-3-12(10-13-14-4-5-15-13)11(2)16-6-8-17-9-7-16/h3,11,13-15H,4-10H2,1-2H3/b12-3-
InChIKeyCGZNBKTWRZDJLF-BASWHVEKSA-N
MW239.36 g/mol
LogP0.56
Rot. Bonds4

About 4-[(Z)-3-(imidazolidin-2-ylmethyl)pent-3-en-2-yl]morpholine

4-[(Z)-3-(imidazolidin-2-ylmethyl)pent-3-en-2-yl]morpholine (PubChem CID 70025394) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-[(Z)-3-(imidazolidin-2-ylmethyl)pent-3-en-2-yl]morpholine.

Molecular Properties

Compound Name4-[(Z)-3-(imidazolidin-2-ylmethyl)pent-3-en-2-yl]morpholine
PubChem CID70025394
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name4-[(Z)-3-(imidazolidin-2-ylmethyl)pent-3-en-2-yl]morpholine
SMILESC/C=C(/CC1NCCN1)C(C)N1CCOCC1
InChIInChI=1S/C13H25N3O/c1-3-12(10-13-14-4-5-15-13)11(2)16-6-8-17-9-7-16/h3,11,13-15H,4-10H2,1-2H3/b12-3-
InChIKeyCGZNBKTWRZDJLF-BASWHVEKSA-N
XLogP0.56
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.56
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-[(Z)-3-(imidazolidin-2-ylmethyl)pent-3-en-2-yl]morpholine?
The IUPAC name of 4-[(Z)-3-(imidazolidin-2-ylmethyl)pent-3-en-2-yl]morpholine (CID 70025394) is 4-[(Z)-3-(imidazolidin-2-ylmethyl)pent-3-en-2-yl]morpholine.
What is the SMILES notation for 4-[(Z)-3-(imidazolidin-2-ylmethyl)pent-3-en-2-yl]morpholine?
The canonical SMILES for 4-[(Z)-3-(imidazolidin-2-ylmethyl)pent-3-en-2-yl]morpholine is C/C=C(/CC1NCCN1)C(C)N1CCOCC1.
What is the InChIKey of 4-[(Z)-3-(imidazolidin-2-ylmethyl)pent-3-en-2-yl]morpholine?
The InChIKey is CGZNBKTWRZDJLF-BASWHVEKSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-12(10-13-14-4-5-15-13)11(2)16-6-8-17-9-7-16/h3,11,13-15H,4-10H2,1-2H3/b12-3-.
What are the key properties of 4-[(Z)-3-(imidazolidin-2-ylmethyl)pent-3-en-2-yl]morpholine?
4-[(Z)-3-(imidazolidin-2-ylmethyl)pent-3-en-2-yl]morpholine has a molecular weight of 239.36 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-3-(imidazolidin-2-ylmethyl)pent-3-en-2-yl]morpholine is sourced from PubChem (CID 70025394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).