(5E)-2-ethenyl-5-[(N-methylanilino)methylidene]-2-pentylcyclopentan-1-one

C20H27NO — CID 22558555

IUPAC(5E)-2-ethenyl-5-[(N-methylanilino)methylidene]-2-pentylcyclopentan-1-one
SMILESC=CC1(CCCCC)CC/C(=C\N(C)c2ccccc2)C1=O
InChIInChI=1S/C20H27NO/c1-4-6-10-14-20(5-2)15-13-17(19(20)22)16-21(3)18-11-8-7-9-12-18/h5,7-9,11-12,16H,2,4,6,10,13-15H2,1,3H3/b17-16+
InChIKeyJAVHPFDOYWWIFK-WUKNDPDISA-N
MW297.44 g/mol
LogP5.12
Rot. Bonds7

About (5E)-2-ethenyl-5-[(N-methylanilino)methylidene]-2-pentylcyclopentan-1-one

(5E)-2-ethenyl-5-[(N-methylanilino)methylidene]-2-pentylcyclopentan-1-one (PubChem CID 22558555) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is (5E)-2-ethenyl-5-[(N-methylanilino)methylidene]-2-pentylcyclopentan-1-one.

Molecular Properties

Compound Name(5E)-2-ethenyl-5-[(N-methylanilino)methylidene]-2-pentylcyclopentan-1-one
PubChem CID22558555
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name(5E)-2-ethenyl-5-[(N-methylanilino)methylidene]-2-pentylcyclopentan-1-one
SMILESC=CC1(CCCCC)CC/C(=C\N(C)c2ccccc2)C1=O
InChIInChI=1S/C20H27NO/c1-4-6-10-14-20(5-2)15-13-17(19(20)22)16-21(3)18-11-8-7-9-12-18/h5,7-9,11-12,16H,2,4,6,10,13-15H2,1,3H3/b17-16+
InChIKeyJAVHPFDOYWWIFK-WUKNDPDISA-N
XLogP5.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.44
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-2-ethenyl-5-[(N-methylanilino)methylidene]-2-pentylcyclopentan-1-one?
The IUPAC name of (5E)-2-ethenyl-5-[(N-methylanilino)methylidene]-2-pentylcyclopentan-1-one (CID 22558555) is (5E)-2-ethenyl-5-[(N-methylanilino)methylidene]-2-pentylcyclopentan-1-one.
What is the SMILES notation for (5E)-2-ethenyl-5-[(N-methylanilino)methylidene]-2-pentylcyclopentan-1-one?
The canonical SMILES for (5E)-2-ethenyl-5-[(N-methylanilino)methylidene]-2-pentylcyclopentan-1-one is C=CC1(CCCCC)CC/C(=C\N(C)c2ccccc2)C1=O.
What is the InChIKey of (5E)-2-ethenyl-5-[(N-methylanilino)methylidene]-2-pentylcyclopentan-1-one?
The InChIKey is JAVHPFDOYWWIFK-WUKNDPDISA-N. The full InChI is InChI=1S/C20H27NO/c1-4-6-10-14-20(5-2)15-13-17(19(20)22)16-21(3)18-11-8-7-9-12-18/h5,7-9,11-12,16H,2,4,6,10,13-15H2,1,3H3/b17-16+.
What are the key properties of (5E)-2-ethenyl-5-[(N-methylanilino)methylidene]-2-pentylcyclopentan-1-one?
(5E)-2-ethenyl-5-[(N-methylanilino)methylidene]-2-pentylcyclopentan-1-one has a molecular weight of 297.44 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-ethenyl-5-[(N-methylanilino)methylidene]-2-pentylcyclopentan-1-one is sourced from PubChem (CID 22558555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).