3-(2,3-dimethylcyclopentyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one

C15H26N2O — CID 83258344

IUPAC3-(2,3-dimethylcyclopentyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC1CCC(N2C(=O)C3(CCCC3)NC2C)C1C
InChIInChI=1S/C15H26N2O/c1-10-6-7-13(11(10)2)17-12(3)16-15(14(17)18)8-4-5-9-15/h10-13,16H,4-9H2,1-3H3
InChIKeyDWRBZYHPQBBDKP-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.51
Rot. Bonds1

About 3-(2,3-dimethylcyclopentyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one

3-(2,3-dimethylcyclopentyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83258344) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-(2,3-dimethylcyclopentyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-(2,3-dimethylcyclopentyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83258344
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-(2,3-dimethylcyclopentyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC1CCC(N2C(=O)C3(CCCC3)NC2C)C1C
InChIInChI=1S/C15H26N2O/c1-10-6-7-13(11(10)2)17-12(3)16-15(14(17)18)8-4-5-9-15/h10-13,16H,4-9H2,1-3H3
InChIKeyDWRBZYHPQBBDKP-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylcyclopentyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-(2,3-dimethylcyclopentyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one (CID 83258344) is 3-(2,3-dimethylcyclopentyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-(2,3-dimethylcyclopentyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-(2,3-dimethylcyclopentyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one is CC1CCC(N2C(=O)C3(CCCC3)NC2C)C1C.
What is the InChIKey of 3-(2,3-dimethylcyclopentyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is DWRBZYHPQBBDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-10-6-7-13(11(10)2)17-12(3)16-15(14(17)18)8-4-5-9-15/h10-13,16H,4-9H2,1-3H3.
What are the key properties of 3-(2,3-dimethylcyclopentyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one?
3-(2,3-dimethylcyclopentyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 250.39 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylcyclopentyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83258344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).