2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)cyclopentan-1-one

C12H20N2O — CID 131003079

IUPAC2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)cyclopentan-1-one
SMILESCN1CC2(CCN(C3CCCC3=O)C2)C1
InChIInChI=1S/C12H20N2O/c1-13-7-12(8-13)5-6-14(9-12)10-3-2-4-11(10)15/h10H,2-9H2,1H3
InChIKeyZIOVTOSWSFMOQH-UHFFFAOYSA-N
MW208.30 g/mol
LogP0.75
Rot. Bonds1

About 2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)cyclopentan-1-one

2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)cyclopentan-1-one (PubChem CID 131003079) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)cyclopentan-1-one
PubChem CID131003079
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)cyclopentan-1-one
SMILESCN1CC2(CCN(C3CCCC3=O)C2)C1
InChIInChI=1S/C12H20N2O/c1-13-7-12(8-13)5-6-14(9-12)10-3-2-4-11(10)15/h10H,2-9H2,1H3
InChIKeyZIOVTOSWSFMOQH-UHFFFAOYSA-N
XLogP0.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)cyclopentan-1-one?
The IUPAC name of 2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)cyclopentan-1-one (CID 131003079) is 2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)cyclopentan-1-one.
What is the SMILES notation for 2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)cyclopentan-1-one?
The canonical SMILES for 2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)cyclopentan-1-one is CN1CC2(CCN(C3CCCC3=O)C2)C1.
What is the InChIKey of 2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)cyclopentan-1-one?
The InChIKey is ZIOVTOSWSFMOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-13-7-12(8-13)5-6-14(9-12)10-3-2-4-11(10)15/h10H,2-9H2,1H3.
What are the key properties of 2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)cyclopentan-1-one?
2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)cyclopentan-1-one has a molecular weight of 208.30 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)cyclopentan-1-one is sourced from PubChem (CID 131003079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).