8-(1,2-dihydroacenaphthylen-1-yl)-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one

C26H27N3O — CID 15512241

IUPAC8-(1,2-dihydroacenaphthylen-1-yl)-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCc1ccc(N2CNC(=O)C23CCN(C2Cc4cccc5cccc2c45)CC3)cc1
InChIInChI=1S/C26H27N3O/c1-18-8-10-21(11-9-18)29-17-27-25(30)26(29)12-14-28(15-13-26)23-16-20-6-2-4-19-5-3-7-22(23)24(19)20/h2-11,23H,12-17H2,1H3,(H,27,30)
InChIKeyHXAMTTDIZAWFKT-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.17
Rot. Bonds2

About 8-(1,2-dihydroacenaphthylen-1-yl)-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one

8-(1,2-dihydroacenaphthylen-1-yl)-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 15512241) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is 8-(1,2-dihydroacenaphthylen-1-yl)-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-(1,2-dihydroacenaphthylen-1-yl)-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID15512241
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC Name8-(1,2-dihydroacenaphthylen-1-yl)-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCc1ccc(N2CNC(=O)C23CCN(C2Cc4cccc5cccc2c45)CC3)cc1
InChIInChI=1S/C26H27N3O/c1-18-8-10-21(11-9-18)29-17-27-25(30)26(29)12-14-28(15-13-26)23-16-20-6-2-4-19-5-3-7-22(23)24(19)20/h2-11,23H,12-17H2,1H3,(H,27,30)
InChIKeyHXAMTTDIZAWFKT-UHFFFAOYSA-N
XLogP4.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(1,2-dihydroacenaphthylen-1-yl)-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-(1,2-dihydroacenaphthylen-1-yl)-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one (CID 15512241) is 8-(1,2-dihydroacenaphthylen-1-yl)-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-(1,2-dihydroacenaphthylen-1-yl)-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-(1,2-dihydroacenaphthylen-1-yl)-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one is Cc1ccc(N2CNC(=O)C23CCN(C2Cc4cccc5cccc2c45)CC3)cc1.
What is the InChIKey of 8-(1,2-dihydroacenaphthylen-1-yl)-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is HXAMTTDIZAWFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O/c1-18-8-10-21(11-9-18)29-17-27-25(30)26(29)12-14-28(15-13-26)23-16-20-6-2-4-19-5-3-7-22(23)24(19)20/h2-11,23H,12-17H2,1H3,(H,27,30).
What are the key properties of 8-(1,2-dihydroacenaphthylen-1-yl)-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one?
8-(1,2-dihydroacenaphthylen-1-yl)-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 397.52 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,2-dihydroacenaphthylen-1-yl)-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 15512241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).