6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one

C13H22N2O — CID 83258358

IUPAC6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC1CCCCCC1N1CNC2(CC2)C1=O
InChIInChI=1S/C13H22N2O/c1-10-5-3-2-4-6-11(10)15-9-14-13(7-8-13)12(15)16/h10-11,14H,2-9H2,1H3
InChIKeyIBMQOTUYWDEJJJ-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.88
Rot. Bonds1

About 6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one

6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83258358) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83258358
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC1CCCCCC1N1CNC2(CC2)C1=O
InChIInChI=1S/C13H22N2O/c1-10-5-3-2-4-6-11(10)15-9-14-13(7-8-13)12(15)16/h10-11,14H,2-9H2,1H3
InChIKeyIBMQOTUYWDEJJJ-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83258358) is 6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one is CC1CCCCCC1N1CNC2(CC2)C1=O.
What is the InChIKey of 6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is IBMQOTUYWDEJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10-5-3-2-4-6-11(10)15-9-14-13(7-8-13)12(15)16/h10-11,14H,2-9H2,1H3.
What are the key properties of 6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one?
6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 222.33 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83258358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).