7-(3-methylphenyl)-5,7-diazaspiro[3.5]nonane-6,8-dione

C14H16N2O2 — CID 79852183

IUPAC7-(3-methylphenyl)-5,7-diazaspiro[3.5]nonane-6,8-dione
SMILESCc1cccc(N2C(=O)CC3(CCC3)NC2=O)c1
InChIInChI=1S/C14H16N2O2/c1-10-4-2-5-11(8-10)16-12(17)9-14(6-3-7-14)15-13(16)18/h2,4-5,8H,3,6-7,9H2,1H3,(H,15,18)
InChIKeyBBOSLPFNQGYAHF-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.36
Rot. Bonds1

About 7-(3-methylphenyl)-5,7-diazaspiro[3.5]nonane-6,8-dione

7-(3-methylphenyl)-5,7-diazaspiro[3.5]nonane-6,8-dione (PubChem CID 79852183) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 7-(3-methylphenyl)-5,7-diazaspiro[3.5]nonane-6,8-dione.

Molecular Properties

Compound Name7-(3-methylphenyl)-5,7-diazaspiro[3.5]nonane-6,8-dione
PubChem CID79852183
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name7-(3-methylphenyl)-5,7-diazaspiro[3.5]nonane-6,8-dione
SMILESCc1cccc(N2C(=O)CC3(CCC3)NC2=O)c1
InChIInChI=1S/C14H16N2O2/c1-10-4-2-5-11(8-10)16-12(17)9-14(6-3-7-14)15-13(16)18/h2,4-5,8H,3,6-7,9H2,1H3,(H,15,18)
InChIKeyBBOSLPFNQGYAHF-UHFFFAOYSA-N
XLogP2.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(3-chloro-4-methylphenyl)-6,8-diazaspiro[4.5]decane-7,9-dione
CID 64673255
3-(3,4-dichlorophenyl)-1,3-diazaspiro[5.5]undecane-2,4-dione
CID 64670709
7-(3-aminophenyl)-5,7-diazaspiro[3.4]octan-6-one
CID 105471206
1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3619163
6-methyl-3-(3-methylphenyl)-1,3-diazepane-2,4-dione
CID 81070323
2-(3-methylphenyl)-1,2,4-triazaspiro[4.6]undecan-3-one
CID 46367653
1-(3-methylphenyl)-5-sulfanylidenepyrrolidin-2-one
CID 141465001
7-(3-aminophenyl)-5,7-diazaspiro[3.4]octane-6,8-dione
CID 81166900
8-(3-chlorophenyl)-6,8-diazaspiro[3.6]decane-7,9-dione
CID 81167435
(3S)-1-(3-methylphenyl)-3-[4-[(3S)-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione
CID 6962996
1-(3-methylphenyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 56977746
ethyl 1-acetyl-7-(3-methylphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
CID 3409842

Frequently Asked Questions

What is the IUPAC name of 7-(3-methylphenyl)-5,7-diazaspiro[3.5]nonane-6,8-dione?
The IUPAC name of 7-(3-methylphenyl)-5,7-diazaspiro[3.5]nonane-6,8-dione (CID 79852183) is 7-(3-methylphenyl)-5,7-diazaspiro[3.5]nonane-6,8-dione.
What is the SMILES notation for 7-(3-methylphenyl)-5,7-diazaspiro[3.5]nonane-6,8-dione?
The canonical SMILES for 7-(3-methylphenyl)-5,7-diazaspiro[3.5]nonane-6,8-dione is Cc1cccc(N2C(=O)CC3(CCC3)NC2=O)c1.
What is the InChIKey of 7-(3-methylphenyl)-5,7-diazaspiro[3.5]nonane-6,8-dione?
The InChIKey is BBOSLPFNQGYAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-4-2-5-11(8-10)16-12(17)9-14(6-3-7-14)15-13(16)18/h2,4-5,8H,3,6-7,9H2,1H3,(H,15,18).
What are the key properties of 7-(3-methylphenyl)-5,7-diazaspiro[3.5]nonane-6,8-dione?
7-(3-methylphenyl)-5,7-diazaspiro[3.5]nonane-6,8-dione has a molecular weight of 244.29 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methylphenyl)-5,7-diazaspiro[3.5]nonane-6,8-dione is sourced from PubChem (CID 79852183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).