(5E)-2-(morpholin-4-ylmethyl)-5-pentylidenecyclopentan-1-one

C15H25NO2 — CID 5467292

IUPAC(5E)-2-(morpholin-4-ylmethyl)-5-pentylidenecyclopentan-1-one
SMILESCCCC/C=C1\CCC(CN2CCOCC2)C1=O
InChIInChI=1S/C15H25NO2/c1-2-3-4-5-13-6-7-14(15(13)17)12-16-8-10-18-11-9-16/h5,14H,2-4,6-12H2,1H3/b13-5+
InChIKeyCREVBJLJEKUOIC-WLRTZDKTSA-N
MW251.37 g/mol
LogP2.41
Rot. Bonds5

About (5E)-2-(morpholin-4-ylmethyl)-5-pentylidenecyclopentan-1-one

(5E)-2-(morpholin-4-ylmethyl)-5-pentylidenecyclopentan-1-one (PubChem CID 5467292) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (5E)-2-(morpholin-4-ylmethyl)-5-pentylidenecyclopentan-1-one.

Molecular Properties

Compound Name(5E)-2-(morpholin-4-ylmethyl)-5-pentylidenecyclopentan-1-one
PubChem CID5467292
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(5E)-2-(morpholin-4-ylmethyl)-5-pentylidenecyclopentan-1-one
SMILESCCCC/C=C1\CCC(CN2CCOCC2)C1=O
InChIInChI=1S/C15H25NO2/c1-2-3-4-5-13-6-7-14(15(13)17)12-16-8-10-18-11-9-16/h5,14H,2-4,6-12H2,1H3/b13-5+
InChIKeyCREVBJLJEKUOIC-WLRTZDKTSA-N
XLogP2.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5E)-2-(morpholin-4-ylmethyl)-5-pentylidenecyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(morpholin-4-ylmethyl)-5-pentylidenecyclopentan-1-one?
The IUPAC name of (5E)-2-(morpholin-4-ylmethyl)-5-pentylidenecyclopentan-1-one (CID 5467292) is (5E)-2-(morpholin-4-ylmethyl)-5-pentylidenecyclopentan-1-one.
What is the SMILES notation for (5E)-2-(morpholin-4-ylmethyl)-5-pentylidenecyclopentan-1-one?
The canonical SMILES for (5E)-2-(morpholin-4-ylmethyl)-5-pentylidenecyclopentan-1-one is CCCC/C=C1\CCC(CN2CCOCC2)C1=O.
What is the InChIKey of (5E)-2-(morpholin-4-ylmethyl)-5-pentylidenecyclopentan-1-one?
The InChIKey is CREVBJLJEKUOIC-WLRTZDKTSA-N. The full InChI is InChI=1S/C15H25NO2/c1-2-3-4-5-13-6-7-14(15(13)17)12-16-8-10-18-11-9-16/h5,14H,2-4,6-12H2,1H3/b13-5+.
What are the key properties of (5E)-2-(morpholin-4-ylmethyl)-5-pentylidenecyclopentan-1-one?
(5E)-2-(morpholin-4-ylmethyl)-5-pentylidenecyclopentan-1-one has a molecular weight of 251.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(morpholin-4-ylmethyl)-5-pentylidenecyclopentan-1-one is sourced from PubChem (CID 5467292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).