9-(3,4-dimethylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione

C16H20N2O2 — CID 64958649

IUPAC9-(3,4-dimethylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCc1ccc(N2CC(=O)NC3(CCCC3)C2=O)cc1C
InChIInChI=1S/C16H20N2O2/c1-11-5-6-13(9-12(11)2)18-10-14(19)17-16(15(18)20)7-3-4-8-16/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,19)
InChIKeyGXMOPYWSEFHMMJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.08
Rot. Bonds1

About 9-(3,4-dimethylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione

9-(3,4-dimethylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 64958649) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 9-(3,4-dimethylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name9-(3,4-dimethylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID64958649
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name9-(3,4-dimethylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCc1ccc(N2CC(=O)NC3(CCCC3)C2=O)cc1C
InChIInChI=1S/C16H20N2O2/c1-11-5-6-13(9-12(11)2)18-10-14(19)17-16(15(18)20)7-3-4-8-16/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,19)
InChIKeyGXMOPYWSEFHMMJ-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(3,4-dimethylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 9-(3,4-dimethylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione (CID 64958649) is 9-(3,4-dimethylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 9-(3,4-dimethylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 9-(3,4-dimethylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione is Cc1ccc(N2CC(=O)NC3(CCCC3)C2=O)cc1C.
What is the InChIKey of 9-(3,4-dimethylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is GXMOPYWSEFHMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-5-6-13(9-12(11)2)18-10-14(19)17-16(15(18)20)7-3-4-8-16/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,19).
What are the key properties of 9-(3,4-dimethylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
9-(3,4-dimethylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 272.35 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-dimethylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 64958649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).