(2E)-2-[(4-methylphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one

C18H23NO2 — CID 10401697

IUPAC(2E)-2-[(4-methylphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one
SMILESCc1ccc(/C=C2\CCC(CN3CCOCC3)C2=O)cc1
InChIInChI=1S/C18H23NO2/c1-14-2-4-15(5-3-14)12-16-6-7-17(18(16)20)13-19-8-10-21-11-9-19/h2-5,12,17H,6-11,13H2,1H3/b16-12+
InChIKeyXIKSFHRWHQVHGB-FOWTUZBSSA-N
MW285.39 g/mol
LogP2.69
Rot. Bonds3

About (2E)-2-[(4-methylphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one

(2E)-2-[(4-methylphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one (PubChem CID 10401697) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (2E)-2-[(4-methylphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one.

Molecular Properties

Compound Name(2E)-2-[(4-methylphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one
PubChem CID10401697
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(2E)-2-[(4-methylphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one
SMILESCc1ccc(/C=C2\CCC(CN3CCOCC3)C2=O)cc1
InChIInChI=1S/C18H23NO2/c1-14-2-4-15(5-3-14)12-16-6-7-17(18(16)20)13-19-8-10-21-11-9-19/h2-5,12,17H,6-11,13H2,1H3/b16-12+
InChIKeyXIKSFHRWHQVHGB-FOWTUZBSSA-N
XLogP2.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4-methylphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one?
The IUPAC name of (2E)-2-[(4-methylphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one (CID 10401697) is (2E)-2-[(4-methylphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one.
What is the SMILES notation for (2E)-2-[(4-methylphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one?
The canonical SMILES for (2E)-2-[(4-methylphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one is Cc1ccc(/C=C2\CCC(CN3CCOCC3)C2=O)cc1.
What is the InChIKey of (2E)-2-[(4-methylphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one?
The InChIKey is XIKSFHRWHQVHGB-FOWTUZBSSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14-2-4-15(5-3-14)12-16-6-7-17(18(16)20)13-19-8-10-21-11-9-19/h2-5,12,17H,6-11,13H2,1H3/b16-12+.
What are the key properties of (2E)-2-[(4-methylphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one?
(2E)-2-[(4-methylphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one has a molecular weight of 285.39 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-methylphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one is sourced from PubChem (CID 10401697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).