5-cyclopentyl-6-(3,3-dimethylbutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one

C16H28N2O — CID 104830783

IUPAC5-cyclopentyl-6-(3,3-dimethylbutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(N1C(=O)C2(CC2)NC1C1CCCC1)C(C)(C)C
InChIInChI=1S/C16H28N2O/c1-11(15(2,3)4)18-13(12-7-5-6-8-12)17-16(9-10-16)14(18)19/h11-13,17H,5-10H2,1-4H3
InChIKeyZKSYQSHTGLBZCW-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.90
Rot. Bonds2

About 5-cyclopentyl-6-(3,3-dimethylbutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one

5-cyclopentyl-6-(3,3-dimethylbutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 104830783) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 5-cyclopentyl-6-(3,3-dimethylbutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-cyclopentyl-6-(3,3-dimethylbutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID104830783
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name5-cyclopentyl-6-(3,3-dimethylbutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(N1C(=O)C2(CC2)NC1C1CCCC1)C(C)(C)C
InChIInChI=1S/C16H28N2O/c1-11(15(2,3)4)18-13(12-7-5-6-8-12)17-16(9-10-16)14(18)19/h11-13,17H,5-10H2,1-4H3
InChIKeyZKSYQSHTGLBZCW-UHFFFAOYSA-N
XLogP2.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-6-(3,3-dimethylbutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-cyclopentyl-6-(3,3-dimethylbutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one (CID 104830783) is 5-cyclopentyl-6-(3,3-dimethylbutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-cyclopentyl-6-(3,3-dimethylbutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-cyclopentyl-6-(3,3-dimethylbutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one is CC(N1C(=O)C2(CC2)NC1C1CCCC1)C(C)(C)C.
What is the InChIKey of 5-cyclopentyl-6-(3,3-dimethylbutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is ZKSYQSHTGLBZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-11(15(2,3)4)18-13(12-7-5-6-8-12)17-16(9-10-16)14(18)19/h11-13,17H,5-10H2,1-4H3.
What are the key properties of 5-cyclopentyl-6-(3,3-dimethylbutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
5-cyclopentyl-6-(3,3-dimethylbutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 264.41 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-6-(3,3-dimethylbutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 104830783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).