2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride

C11H21ClN2O — CID 45074133

IUPAC2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride
SMILESCC(C)N1CCC2(CCCNC2)C1=O.Cl
InChIInChI=1S/C11H20N2O.ClH/c1-9(2)13-7-5-11(10(13)14)4-3-6-12-8-11;/h9,12H,3-8H2,1-2H3;1H
InChIKeyINWLFWOULYWFSV-UHFFFAOYSA-N
MW232.75 g/mol
LogP1.42
Rot. Bonds1

About 2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride

2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride (PubChem CID 45074133) has the molecular formula C11H21ClN2O and a molecular weight of 232.75 g/mol. Its IUPAC name is 2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride.

Molecular Properties

Compound Name2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride
PubChem CID45074133
Molecular FormulaC11H21ClN2O
Molecular Weight232.75 g/mol
Exact Mass232.13
IUPAC Name2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride
SMILESCC(C)N1CCC2(CCCNC2)C1=O.Cl
InChIInChI=1S/C11H20N2O.ClH/c1-9(2)13-7-5-11(10(13)14)4-3-6-12-8-11;/h9,12H,3-8H2,1-2H3;1H
InChIKeyINWLFWOULYWFSV-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride?
The IUPAC name of 2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride (CID 45074133) is 2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride.
What is the SMILES notation for 2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride?
The canonical SMILES for 2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride is CC(C)N1CCC2(CCCNC2)C1=O.Cl.
What is the InChIKey of 2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride?
The InChIKey is INWLFWOULYWFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O.ClH/c1-9(2)13-7-5-11(10(13)14)4-3-6-12-8-11;/h9,12H,3-8H2,1-2H3;1H.
What are the key properties of 2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride?
2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride has a molecular weight of 232.75 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride is sourced from PubChem (CID 45074133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).