1-(1-morpholin-4-ylcyclopentyl)hex-5-en-1-one

C15H25NO2 — CID 79059273

IUPAC1-(1-morpholin-4-ylcyclopentyl)hex-5-en-1-one
SMILESC=CCCCC(=O)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C15H25NO2/c1-2-3-4-7-14(17)15(8-5-6-9-15)16-10-12-18-13-11-16/h2H,1,3-13H2
InChIKeyOUYCHJJBHGDFNN-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.56
Rot. Bonds6

About 1-(1-morpholin-4-ylcyclopentyl)hex-5-en-1-one

1-(1-morpholin-4-ylcyclopentyl)hex-5-en-1-one (PubChem CID 79059273) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(1-morpholin-4-ylcyclopentyl)hex-5-en-1-one.

Molecular Properties

Compound Name1-(1-morpholin-4-ylcyclopentyl)hex-5-en-1-one
PubChem CID79059273
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(1-morpholin-4-ylcyclopentyl)hex-5-en-1-one
SMILESC=CCCCC(=O)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C15H25NO2/c1-2-3-4-7-14(17)15(8-5-6-9-15)16-10-12-18-13-11-16/h2H,1,3-13H2
InChIKeyOUYCHJJBHGDFNN-UHFFFAOYSA-N
XLogP2.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)hex-5-en-1-one?
The IUPAC name of 1-(1-morpholin-4-ylcyclopentyl)hex-5-en-1-one (CID 79059273) is 1-(1-morpholin-4-ylcyclopentyl)hex-5-en-1-one.
What is the SMILES notation for 1-(1-morpholin-4-ylcyclopentyl)hex-5-en-1-one?
The canonical SMILES for 1-(1-morpholin-4-ylcyclopentyl)hex-5-en-1-one is C=CCCCC(=O)C1(N2CCOCC2)CCCC1.
What is the InChIKey of 1-(1-morpholin-4-ylcyclopentyl)hex-5-en-1-one?
The InChIKey is OUYCHJJBHGDFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-2-3-4-7-14(17)15(8-5-6-9-15)16-10-12-18-13-11-16/h2H,1,3-13H2.
What are the key properties of 1-(1-morpholin-4-ylcyclopentyl)hex-5-en-1-one?
1-(1-morpholin-4-ylcyclopentyl)hex-5-en-1-one has a molecular weight of 251.37 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-morpholin-4-ylcyclopentyl)hex-5-en-1-one is sourced from PubChem (CID 79059273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).