(2E,5S)-2-[(4-methoxyphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one

C18H23NO3 — CID 92857641

IUPAC(2E,5S)-2-[(4-methoxyphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one
SMILESCOc1ccc(/C=C2\CC[C@@H](CN3CCOCC3)C2=O)cc1
InChIInChI=1S/C18H23NO3/c1-21-17-6-2-14(3-7-17)12-15-4-5-16(18(15)20)13-19-8-10-22-11-9-19/h2-3,6-7,12,16H,4-5,8-11,13H2,1H3/b15-12+/t16-/m0/s1
InChIKeyYHJFMYKYQWCQPY-STTHAQSSSA-N
MW301.39 g/mol
LogP2.39
Rot. Bonds4

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

(2E,5S)-2-[(4-methoxyphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one (PubChem CID 92857641) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2E,5S)-2-[(4-methoxyphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one.

Molecular Properties

Compound Name(2E,5S)-2-[(4-methoxyphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one
PubChem CID92857641
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name(2E,5S)-2-[(4-methoxyphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one
SMILESCOc1ccc(/C=C2\CC[C@@H](CN3CCOCC3)C2=O)cc1
InChIInChI=1S/C18H23NO3/c1-21-17-6-2-14(3-7-17)12-15-4-5-16(18(15)20)13-19-8-10-22-11-9-19/h2-3,6-7,12,16H,4-5,8-11,13H2,1H3/b15-12+/t16-/m0/s1
InChIKeyYHJFMYKYQWCQPY-STTHAQSSSA-N
XLogP2.39
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.39
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

(2Z,5S)-2-[(4-methoxyphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one
CID 92530871
(5Z)-2-[(dimethylamino)methyl]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride
CID 6516821
(2E)-2-[(2-methoxyphenyl)methylidene]-5-(2-morpholin-4-ylethyl)cyclopentan-1-one
CID 6914198
(2E,6E)-2,6-bis[(4-methoxyphenyl)methylidene]-4-(morpholine-4-carbonyl)cyclohexan-1-one
CID 134140599
4-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methyl]morpholine
CID 70717732
(2E,5E)-2,5-bis[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]cyclopentan-1-one
CID 71518525
(5Z)-2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride
CID 6516823
(2Z)-2-[(4-methoxyphenyl)methylidene]-5-trimethylsilylcyclohexan-1-one
CID 68642876
9-methoxy-4-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one
CID 82250923
[(3E)-3-[[4-[(E)-[3-[(dimethylazaniumyl)methyl]-2-oxocyclopentylidene]methyl]phenyl]methylidene]-2-oxocyclopentyl]methyl-dimethylazanium dichloride
CID 11134185
[(3E)-3-[[4-(4-methoxybenzoyl)oxyphenyl]methylidene]-2-oxocyclohexyl]methyl-dimethylazanium chloride
CID 10622515
3-ethyl-2-[(4-methoxyphenyl)methylidene]cyclohexan-1-one
CID 68642942

Frequently Asked Questions

What is the IUPAC name of (2E,5S)-2-[(4-methoxyphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one?
The IUPAC name of (2E,5S)-2-[(4-methoxyphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one (CID 92857641) is (2E,5S)-2-[(4-methoxyphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one.
What is the SMILES notation for (2E,5S)-2-[(4-methoxyphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one?
The canonical SMILES for (2E,5S)-2-[(4-methoxyphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one is COc1ccc(/C=C2\CC[C@@H](CN3CCOCC3)C2=O)cc1.
What is the InChIKey of (2E,5S)-2-[(4-methoxyphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one?
The InChIKey is YHJFMYKYQWCQPY-STTHAQSSSA-N. The full InChI is InChI=1S/C18H23NO3/c1-21-17-6-2-14(3-7-17)12-15-4-5-16(18(15)20)13-19-8-10-22-11-9-19/h2-3,6-7,12,16H,4-5,8-11,13H2,1H3/b15-12+/t16-/m0/s1.
What are the key properties of (2E,5S)-2-[(4-methoxyphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one?
(2E,5S)-2-[(4-methoxyphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one has a molecular weight of 301.39 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5S)-2-[(4-methoxyphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one is sourced from PubChem (CID 92857641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).