2-methyl-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride

C10H20Cl2N2O — CID 75531066

IUPAC2-methyl-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride
SMILESCN1CC2(CCNCC2)CCC1=O.Cl.Cl
InChIInChI=1S/C10H18N2O.2ClH/c1-12-8-10(3-2-9(12)13)4-6-11-7-5-10;;/h11H,2-8H2,1H3;2*1H
InChIKeyHANZHFGJMOXVRU-UHFFFAOYSA-N
MW255.19 g/mol
LogP1.45
Rot. Bonds

About 2-methyl-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride

2-methyl-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride (PubChem CID 75531066) has the molecular formula C10H20Cl2N2O and a molecular weight of 255.19 g/mol. Its IUPAC name is 2-methyl-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride.

Molecular Properties

Compound Name2-methyl-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride
PubChem CID75531066
Molecular FormulaC10H20Cl2N2O
Molecular Weight255.19 g/mol
Exact Mass254.10
IUPAC Name2-methyl-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride
SMILESCN1CC2(CCNCC2)CCC1=O.Cl.Cl
InChIInChI=1S/C10H18N2O.2ClH/c1-12-8-10(3-2-9(12)13)4-6-11-7-5-10;;/h11H,2-8H2,1H3;2*1H
InChIKeyHANZHFGJMOXVRU-UHFFFAOYSA-N
XLogP1.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride?
The IUPAC name of 2-methyl-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride (CID 75531066) is 2-methyl-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride.
What is the SMILES notation for 2-methyl-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride?
The canonical SMILES for 2-methyl-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride is CN1CC2(CCNCC2)CCC1=O.Cl.Cl.
What is the InChIKey of 2-methyl-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride?
The InChIKey is HANZHFGJMOXVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O.2ClH/c1-12-8-10(3-2-9(12)13)4-6-11-7-5-10;;/h11H,2-8H2,1H3;2*1H.
What are the key properties of 2-methyl-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride?
2-methyl-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride has a molecular weight of 255.19 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride is sourced from PubChem (CID 75531066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).