(2E)-2-[(4-methylphenyl)methylidene]-6-(morpholin-4-ylmethyl)cyclohexan-1-one

C19H25NO2 — CID 11833478

IUPAC(2E)-2-[(4-methylphenyl)methylidene]-6-(morpholin-4-ylmethyl)cyclohexan-1-one
SMILESCc1ccc(/C=C2\CCCC(CN3CCOCC3)C2=O)cc1
InChIInChI=1S/C19H25NO2/c1-15-5-7-16(8-6-15)13-17-3-2-4-18(19(17)21)14-20-9-11-22-12-10-20/h5-8,13,18H,2-4,9-12,14H2,1H3/b17-13+
InChIKeyBNYFVHRIRVJHGM-GHRIWEEISA-N
MW299.41 g/mol
LogP3.08
Rot. Bonds3

About (2E)-2-[(4-methylphenyl)methylidene]-6-(morpholin-4-ylmethyl)cyclohexan-1-one

(2E)-2-[(4-methylphenyl)methylidene]-6-(morpholin-4-ylmethyl)cyclohexan-1-one (PubChem CID 11833478) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is (2E)-2-[(4-methylphenyl)methylidene]-6-(morpholin-4-ylmethyl)cyclohexan-1-one.

Molecular Properties

Compound Name(2E)-2-[(4-methylphenyl)methylidene]-6-(morpholin-4-ylmethyl)cyclohexan-1-one
PubChem CID11833478
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name(2E)-2-[(4-methylphenyl)methylidene]-6-(morpholin-4-ylmethyl)cyclohexan-1-one
SMILESCc1ccc(/C=C2\CCCC(CN3CCOCC3)C2=O)cc1
InChIInChI=1S/C19H25NO2/c1-15-5-7-16(8-6-15)13-17-3-2-4-18(19(17)21)14-20-9-11-22-12-10-20/h5-8,13,18H,2-4,9-12,14H2,1H3/b17-13+
InChIKeyBNYFVHRIRVJHGM-GHRIWEEISA-N
XLogP3.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.08
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]-6-(morpholin-4-ylmethyl)cyclohexan-1-one?
The IUPAC name of (2E)-2-[(4-methylphenyl)methylidene]-6-(morpholin-4-ylmethyl)cyclohexan-1-one (CID 11833478) is (2E)-2-[(4-methylphenyl)methylidene]-6-(morpholin-4-ylmethyl)cyclohexan-1-one.
What is the SMILES notation for (2E)-2-[(4-methylphenyl)methylidene]-6-(morpholin-4-ylmethyl)cyclohexan-1-one?
The canonical SMILES for (2E)-2-[(4-methylphenyl)methylidene]-6-(morpholin-4-ylmethyl)cyclohexan-1-one is Cc1ccc(/C=C2\CCCC(CN3CCOCC3)C2=O)cc1.
What is the InChIKey of (2E)-2-[(4-methylphenyl)methylidene]-6-(morpholin-4-ylmethyl)cyclohexan-1-one?
The InChIKey is BNYFVHRIRVJHGM-GHRIWEEISA-N. The full InChI is InChI=1S/C19H25NO2/c1-15-5-7-16(8-6-15)13-17-3-2-4-18(19(17)21)14-20-9-11-22-12-10-20/h5-8,13,18H,2-4,9-12,14H2,1H3/b17-13+.
What are the key properties of (2E)-2-[(4-methylphenyl)methylidene]-6-(morpholin-4-ylmethyl)cyclohexan-1-one?
(2E)-2-[(4-methylphenyl)methylidene]-6-(morpholin-4-ylmethyl)cyclohexan-1-one has a molecular weight of 299.41 g/mol, XLogP of 3.08, 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]-6-(morpholin-4-ylmethyl)cyclohexan-1-one is sourced from PubChem (CID 11833478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).