1-(1-morpholin-4-ylcyclopentyl)but-3-en-1-ol

C13H23NO2 — CID 79060228

IUPAC1-(1-morpholin-4-ylcyclopentyl)but-3-en-1-ol
SMILESC=CCC(O)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C13H23NO2/c1-2-5-12(15)13(6-3-4-7-13)14-8-10-16-11-9-14/h2,12,15H,1,3-11H2
InChIKeyZANWZVNHJAWPMG-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.57
Rot. Bonds4

About 1-(1-morpholin-4-ylcyclopentyl)but-3-en-1-ol

1-(1-morpholin-4-ylcyclopentyl)but-3-en-1-ol (PubChem CID 79060228) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(1-morpholin-4-ylcyclopentyl)but-3-en-1-ol.

Molecular Properties

Compound Name1-(1-morpholin-4-ylcyclopentyl)but-3-en-1-ol
PubChem CID79060228
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(1-morpholin-4-ylcyclopentyl)but-3-en-1-ol
SMILESC=CCC(O)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C13H23NO2/c1-2-5-12(15)13(6-3-4-7-13)14-8-10-16-11-9-14/h2,12,15H,1,3-11H2
InChIKeyZANWZVNHJAWPMG-UHFFFAOYSA-N
XLogP1.57
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.57
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 1-(1-morpholin-4-ylcyclopentyl)but-3-en-1-ol?
The IUPAC name of 1-(1-morpholin-4-ylcyclopentyl)but-3-en-1-ol (CID 79060228) is 1-(1-morpholin-4-ylcyclopentyl)but-3-en-1-ol.
What is the SMILES notation for 1-(1-morpholin-4-ylcyclopentyl)but-3-en-1-ol?
The canonical SMILES for 1-(1-morpholin-4-ylcyclopentyl)but-3-en-1-ol is C=CCC(O)C1(N2CCOCC2)CCCC1.
What is the InChIKey of 1-(1-morpholin-4-ylcyclopentyl)but-3-en-1-ol?
The InChIKey is ZANWZVNHJAWPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-5-12(15)13(6-3-4-7-13)14-8-10-16-11-9-14/h2,12,15H,1,3-11H2.
What are the key properties of 1-(1-morpholin-4-ylcyclopentyl)but-3-en-1-ol?
1-(1-morpholin-4-ylcyclopentyl)but-3-en-1-ol has a molecular weight of 225.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-morpholin-4-ylcyclopentyl)but-3-en-1-ol is sourced from PubChem (CID 79060228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).