(2E)-2-[(2-methoxyphenyl)methylidene]-5-(2-morpholin-4-ylethyl)cyclopentan-1-one

C19H25NO3 — CID 6914198

IUPAC(2E)-2-[(2-methoxyphenyl)methylidene]-5-(2-morpholin-4-ylethyl)cyclopentan-1-one
SMILESCOc1ccccc1/C=C1\CCC(CCN2CCOCC2)C1=O
InChIInChI=1S/C19H25NO3/c1-22-18-5-3-2-4-16(18)14-17-7-6-15(19(17)21)8-9-20-10-12-23-13-11-20/h2-5,14-15H,6-13H2,1H3/b17-14+
InChIKeyFEJNUNADDFBMNT-SAPNQHFASA-N
MW315.41 g/mol
LogP2.78
Rot. Bonds5

About (2E)-2-[(2-methoxyphenyl)methylidene]-5-(2-morpholin-4-ylethyl)cyclopentan-1-one

(2E)-2-[(2-methoxyphenyl)methylidene]-5-(2-morpholin-4-ylethyl)cyclopentan-1-one (PubChem CID 6914198) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is (2E)-2-[(2-methoxyphenyl)methylidene]-5-(2-morpholin-4-ylethyl)cyclopentan-1-one.

Molecular Properties

Compound Name(2E)-2-[(2-methoxyphenyl)methylidene]-5-(2-morpholin-4-ylethyl)cyclopentan-1-one
PubChem CID6914198
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name(2E)-2-[(2-methoxyphenyl)methylidene]-5-(2-morpholin-4-ylethyl)cyclopentan-1-one
SMILESCOc1ccccc1/C=C1\CCC(CCN2CCOCC2)C1=O
InChIInChI=1S/C19H25NO3/c1-22-18-5-3-2-4-16(18)14-17-7-6-15(19(17)21)8-9-20-10-12-23-13-11-20/h2-5,14-15H,6-13H2,1H3/b17-14+
InChIKeyFEJNUNADDFBMNT-SAPNQHFASA-N
XLogP2.78
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2E,5S)-2-[(4-methoxyphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one
CID 92857641
(2Z,5S)-2-[(4-methoxyphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one
CID 92530871
(2E)-2-[(2,3-dimethoxyphenyl)methylidene]-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride
CID 67064616
(5E)-5-[(2-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 1204596
(3E,5E)-3,5-bis[(2-methoxyphenyl)methylidene]oxan-4-one
CID 121461091
2,2-dimethyl-5-[[2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-dioxane-4,6-dione
CID 168599804
9-methoxy-4-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one
CID 82250923
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5426268
2-methoxy-6-(2-morpholin-4-ylethyliminomethyl)phenol
CID 4072556
(E)-3-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide
CID 51361728
2-cyclopentyl-5-[(2,3-dimethoxyphenyl)methylidene]cyclopentan-1-one
CID 3709426
4-(methoxymethyl)-2-[(2-methoxyphenyl)methylidene]cyclohexan-1-one
CID 68642829

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2-methoxyphenyl)methylidene]-5-(2-morpholin-4-ylethyl)cyclopentan-1-one?
The IUPAC name of (2E)-2-[(2-methoxyphenyl)methylidene]-5-(2-morpholin-4-ylethyl)cyclopentan-1-one (CID 6914198) is (2E)-2-[(2-methoxyphenyl)methylidene]-5-(2-morpholin-4-ylethyl)cyclopentan-1-one.
What is the SMILES notation for (2E)-2-[(2-methoxyphenyl)methylidene]-5-(2-morpholin-4-ylethyl)cyclopentan-1-one?
The canonical SMILES for (2E)-2-[(2-methoxyphenyl)methylidene]-5-(2-morpholin-4-ylethyl)cyclopentan-1-one is COc1ccccc1/C=C1\CCC(CCN2CCOCC2)C1=O.
What is the InChIKey of (2E)-2-[(2-methoxyphenyl)methylidene]-5-(2-morpholin-4-ylethyl)cyclopentan-1-one?
The InChIKey is FEJNUNADDFBMNT-SAPNQHFASA-N. The full InChI is InChI=1S/C19H25NO3/c1-22-18-5-3-2-4-16(18)14-17-7-6-15(19(17)21)8-9-20-10-12-23-13-11-20/h2-5,14-15H,6-13H2,1H3/b17-14+.
What are the key properties of (2E)-2-[(2-methoxyphenyl)methylidene]-5-(2-morpholin-4-ylethyl)cyclopentan-1-one?
(2E)-2-[(2-methoxyphenyl)methylidene]-5-(2-morpholin-4-ylethyl)cyclopentan-1-one has a molecular weight of 315.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2-methoxyphenyl)methylidene]-5-(2-morpholin-4-ylethyl)cyclopentan-1-one is sourced from PubChem (CID 6914198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).