8-(1,2-dihydroacenaphthylen-1-yl)-1-phenyl-1,8-diazaspiro[4.5]decane-2,4-dione

C26H24N2O2 — CID 18002561

IUPAC8-(1,2-dihydroacenaphthylen-1-yl)-1-phenyl-1,8-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1CC(=O)C2(CCN(C3Cc4cccc5cccc3c45)CC2)N1c1ccccc1
InChIInChI=1S/C26H24N2O2/c29-23-17-24(30)28(20-9-2-1-3-10-20)26(23)12-14-27(15-13-26)22-16-19-8-4-6-18-7-5-11-21(22)25(18)19/h1-11,22H,12-17H2
InChIKeyFYMLMIPDFQMCMX-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.28
Rot. Bonds2

About 8-(1,2-dihydroacenaphthylen-1-yl)-1-phenyl-1,8-diazaspiro[4.5]decane-2,4-dione

8-(1,2-dihydroacenaphthylen-1-yl)-1-phenyl-1,8-diazaspiro[4.5]decane-2,4-dione (PubChem CID 18002561) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 8-(1,2-dihydroacenaphthylen-1-yl)-1-phenyl-1,8-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(1,2-dihydroacenaphthylen-1-yl)-1-phenyl-1,8-diazaspiro[4.5]decane-2,4-dione
PubChem CID18002561
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name8-(1,2-dihydroacenaphthylen-1-yl)-1-phenyl-1,8-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1CC(=O)C2(CCN(C3Cc4cccc5cccc3c45)CC2)N1c1ccccc1
InChIInChI=1S/C26H24N2O2/c29-23-17-24(30)28(20-9-2-1-3-10-20)26(23)12-14-27(15-13-26)22-16-19-8-4-6-18-7-5-11-21(22)25(18)19/h1-11,22H,12-17H2
InChIKeyFYMLMIPDFQMCMX-UHFFFAOYSA-N
XLogP4.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(1,2-dihydroacenaphthylen-1-yl)-1-phenyl-1,8-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(1,2-dihydroacenaphthylen-1-yl)-1-phenyl-1,8-diazaspiro[4.5]decane-2,4-dione (CID 18002561) is 8-(1,2-dihydroacenaphthylen-1-yl)-1-phenyl-1,8-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(1,2-dihydroacenaphthylen-1-yl)-1-phenyl-1,8-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(1,2-dihydroacenaphthylen-1-yl)-1-phenyl-1,8-diazaspiro[4.5]decane-2,4-dione is O=C1CC(=O)C2(CCN(C3Cc4cccc5cccc3c45)CC2)N1c1ccccc1.
What is the InChIKey of 8-(1,2-dihydroacenaphthylen-1-yl)-1-phenyl-1,8-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is FYMLMIPDFQMCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c29-23-17-24(30)28(20-9-2-1-3-10-20)26(23)12-14-27(15-13-26)22-16-19-8-4-6-18-7-5-11-21(22)25(18)19/h1-11,22H,12-17H2.
What are the key properties of 8-(1,2-dihydroacenaphthylen-1-yl)-1-phenyl-1,8-diazaspiro[4.5]decane-2,4-dione?
8-(1,2-dihydroacenaphthylen-1-yl)-1-phenyl-1,8-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 396.49 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,2-dihydroacenaphthylen-1-yl)-1-phenyl-1,8-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 18002561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).