1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylpropan-1-one;hydrochloride

C11H21ClN2O — CID 169493333

IUPAC1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylpropan-1-one;hydrochloride
SMILESCC(C)C(=O)N1CCC2(CCNC2)C1.Cl
InChIInChI=1S/C11H20N2O.ClH/c1-9(2)10(14)13-6-4-11(8-13)3-5-12-7-11;/h9,12H,3-8H2,1-2H3;1H
InChIKeyGDNFMKUUYCMMBY-UHFFFAOYSA-N
MW232.75 g/mol
LogP1.28
Rot. Bonds1

About 1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylpropan-1-one;hydrochloride

1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylpropan-1-one;hydrochloride (PubChem CID 169493333) has the molecular formula C11H21ClN2O and a molecular weight of 232.75 g/mol. Its IUPAC name is 1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylpropan-1-one;hydrochloride
PubChem CID169493333
Molecular FormulaC11H21ClN2O
Molecular Weight232.75 g/mol
Exact Mass232.13
IUPAC Name1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylpropan-1-one;hydrochloride
SMILESCC(C)C(=O)N1CCC2(CCNC2)C1.Cl
InChIInChI=1S/C11H20N2O.ClH/c1-9(2)10(14)13-6-4-11(8-13)3-5-12-7-11;/h9,12H,3-8H2,1-2H3;1H
InChIKeyGDNFMKUUYCMMBY-UHFFFAOYSA-N
XLogP1.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylpropan-1-one;hydrochloride?
The IUPAC name of 1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylpropan-1-one;hydrochloride (CID 169493333) is 1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylpropan-1-one;hydrochloride?
The canonical SMILES for 1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylpropan-1-one;hydrochloride is CC(C)C(=O)N1CCC2(CCNC2)C1.Cl.
What is the InChIKey of 1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylpropan-1-one;hydrochloride?
The InChIKey is GDNFMKUUYCMMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O.ClH/c1-9(2)10(14)13-6-4-11(8-13)3-5-12-7-11;/h9,12H,3-8H2,1-2H3;1H.
What are the key properties of 1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylpropan-1-one;hydrochloride?
1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylpropan-1-one;hydrochloride has a molecular weight of 232.75 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylpropan-1-one;hydrochloride is sourced from PubChem (CID 169493333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).