6-(3,3-dimethylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one

C12H20N2O — CID 114552420

IUPAC6-(3,3-dimethylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC1(C)CCC(N2CNC3(CC3)C2=O)C1
InChIInChI=1S/C12H20N2O/c1-11(2)4-3-9(7-11)14-8-13-12(5-6-12)10(14)15/h9,13H,3-8H2,1-2H3
InChIKeyHMSHHBOYGZGURC-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.49
Rot. Bonds1

About 6-(3,3-dimethylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one

6-(3,3-dimethylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 114552420) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 6-(3,3-dimethylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(3,3-dimethylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID114552420
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name6-(3,3-dimethylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC1(C)CCC(N2CNC3(CC3)C2=O)C1
InChIInChI=1S/C12H20N2O/c1-11(2)4-3-9(7-11)14-8-13-12(5-6-12)10(14)15/h9,13H,3-8H2,1-2H3
InChIKeyHMSHHBOYGZGURC-UHFFFAOYSA-N
XLogP1.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(3,3-dimethylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 114552420) is 6-(3,3-dimethylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(3,3-dimethylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(3,3-dimethylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one is CC1(C)CCC(N2CNC3(CC3)C2=O)C1.
What is the InChIKey of 6-(3,3-dimethylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is HMSHHBOYGZGURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-11(2)4-3-9(7-11)14-8-13-12(5-6-12)10(14)15/h9,13H,3-8H2,1-2H3.
What are the key properties of 6-(3,3-dimethylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one?
6-(3,3-dimethylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 208.30 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 114552420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).