6-[(1-methylcyclopentyl)methyl]-4,6-diazaspiro[2.4]heptan-7-one

C12H20N2O — CID 83257758

IUPAC6-[(1-methylcyclopentyl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC1(CN2CNC3(CC3)C2=O)CCCC1
InChIInChI=1S/C12H20N2O/c1-11(4-2-3-5-11)8-14-9-13-12(6-7-12)10(14)15/h13H,2-9H2,1H3
InChIKeyKCQXRRYCMOZXSY-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.49
Rot. Bonds2

About 6-[(1-methylcyclopentyl)methyl]-4,6-diazaspiro[2.4]heptan-7-one

6-[(1-methylcyclopentyl)methyl]-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83257758) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 6-[(1-methylcyclopentyl)methyl]-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-[(1-methylcyclopentyl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83257758
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name6-[(1-methylcyclopentyl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC1(CN2CNC3(CC3)C2=O)CCCC1
InChIInChI=1S/C12H20N2O/c1-11(4-2-3-5-11)8-14-9-13-12(6-7-12)10(14)15/h13H,2-9H2,1H3
InChIKeyKCQXRRYCMOZXSY-UHFFFAOYSA-N
XLogP1.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-[(1-methylcyclopentyl)methyl]-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-[(1-methylcyclopentyl)methyl]-4,6-diazaspiro[2.4]heptan-7-one (CID 83257758) is 6-[(1-methylcyclopentyl)methyl]-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-[(1-methylcyclopentyl)methyl]-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-[(1-methylcyclopentyl)methyl]-4,6-diazaspiro[2.4]heptan-7-one is CC1(CN2CNC3(CC3)C2=O)CCCC1.
What is the InChIKey of 6-[(1-methylcyclopentyl)methyl]-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is KCQXRRYCMOZXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-11(4-2-3-5-11)8-14-9-13-12(6-7-12)10(14)15/h13H,2-9H2,1H3.
What are the key properties of 6-[(1-methylcyclopentyl)methyl]-4,6-diazaspiro[2.4]heptan-7-one?
6-[(1-methylcyclopentyl)methyl]-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 208.30 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylcyclopentyl)methyl]-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83257758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).