(5Z)-1-benzyl-5-benzylidene-2-phenyl-1-azaspiro[2.5]octan-4-one

C27H25NO — CID 6477015

IUPAC(5Z)-1-benzyl-5-benzylidene-2-phenyl-1-azaspiro[2.5]octan-4-one
SMILESO=C1/C(=C\c2ccccc2)CCCC12C(c1ccccc1)N2Cc1ccccc1
InChIInChI=1S/C27H25NO/c29-26-24(19-21-11-4-1-5-12-21)17-10-18-27(26)25(23-15-8-3-9-16-23)28(27)20-22-13-6-2-7-14-22/h1-9,11-16,19,25H,10,17-18,20H2/b24-19-
InChIKeyKHURGIKVMGDILD-CLCOLTQESA-N
MW379.50 g/mol
LogP5.82
Rot. Bonds4

About (5Z)-1-benzyl-5-benzylidene-2-phenyl-1-azaspiro[2.5]octan-4-one

(5Z)-1-benzyl-5-benzylidene-2-phenyl-1-azaspiro[2.5]octan-4-one (PubChem CID 6477015) has the molecular formula C27H25NO and a molecular weight of 379.50 g/mol. Its IUPAC name is (5Z)-1-benzyl-5-benzylidene-2-phenyl-1-azaspiro[2.5]octan-4-one.

Molecular Properties

Compound Name(5Z)-1-benzyl-5-benzylidene-2-phenyl-1-azaspiro[2.5]octan-4-one
PubChem CID6477015
Molecular FormulaC27H25NO
Molecular Weight379.50 g/mol
Exact Mass379.19
IUPAC Name(5Z)-1-benzyl-5-benzylidene-2-phenyl-1-azaspiro[2.5]octan-4-one
SMILESO=C1/C(=C\c2ccccc2)CCCC12C(c1ccccc1)N2Cc1ccccc1
InChIInChI=1S/C27H25NO/c29-26-24(19-21-11-4-1-5-12-21)17-10-18-27(26)25(23-15-8-3-9-16-23)28(27)20-22-13-6-2-7-14-22/h1-9,11-16,19,25H,10,17-18,20H2/b24-19-
InChIKeyKHURGIKVMGDILD-CLCOLTQESA-N
XLogP5.82
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-1-benzyl-5-benzylidene-2-phenyl-1-azaspiro[2.5]octan-4-one?
The IUPAC name of (5Z)-1-benzyl-5-benzylidene-2-phenyl-1-azaspiro[2.5]octan-4-one (CID 6477015) is (5Z)-1-benzyl-5-benzylidene-2-phenyl-1-azaspiro[2.5]octan-4-one.
What is the SMILES notation for (5Z)-1-benzyl-5-benzylidene-2-phenyl-1-azaspiro[2.5]octan-4-one?
The canonical SMILES for (5Z)-1-benzyl-5-benzylidene-2-phenyl-1-azaspiro[2.5]octan-4-one is O=C1/C(=C\c2ccccc2)CCCC12C(c1ccccc1)N2Cc1ccccc1.
What is the InChIKey of (5Z)-1-benzyl-5-benzylidene-2-phenyl-1-azaspiro[2.5]octan-4-one?
The InChIKey is KHURGIKVMGDILD-CLCOLTQESA-N. The full InChI is InChI=1S/C27H25NO/c29-26-24(19-21-11-4-1-5-12-21)17-10-18-27(26)25(23-15-8-3-9-16-23)28(27)20-22-13-6-2-7-14-22/h1-9,11-16,19,25H,10,17-18,20H2/b24-19-.
What are the key properties of (5Z)-1-benzyl-5-benzylidene-2-phenyl-1-azaspiro[2.5]octan-4-one?
(5Z)-1-benzyl-5-benzylidene-2-phenyl-1-azaspiro[2.5]octan-4-one has a molecular weight of 379.50 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1-benzyl-5-benzylidene-2-phenyl-1-azaspiro[2.5]octan-4-one is sourced from PubChem (CID 6477015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).