2-methyl-2,7-diazaspiro[3.5]nonan-3-one;hydrochloride

C8H15ClN2O — CID 135392414

IUPAC2-methyl-2,7-diazaspiro[3.5]nonan-3-one;hydrochloride
SMILESCN1CC2(CCNCC2)C1=O.Cl
InChIInChI=1S/C8H14N2O.ClH/c1-10-6-8(7(10)11)2-4-9-5-3-8;/h9H,2-6H2,1H3;1H
InChIKeyDOCRHJFZMMRSFF-UHFFFAOYSA-N
MW190.67 g/mol
LogP0.25
Rot. Bonds

About 2-methyl-2,7-diazaspiro[3.5]nonan-3-one;hydrochloride

2-methyl-2,7-diazaspiro[3.5]nonan-3-one;hydrochloride (PubChem CID 135392414) has the molecular formula C8H15ClN2O and a molecular weight of 190.67 g/mol. Its IUPAC name is 2-methyl-2,7-diazaspiro[3.5]nonan-3-one;hydrochloride.

Molecular Properties

Compound Name2-methyl-2,7-diazaspiro[3.5]nonan-3-one;hydrochloride
PubChem CID135392414
Molecular FormulaC8H15ClN2O
Molecular Weight190.67 g/mol
Exact Mass190.09
IUPAC Name2-methyl-2,7-diazaspiro[3.5]nonan-3-one;hydrochloride
SMILESCN1CC2(CCNCC2)C1=O.Cl
InChIInChI=1S/C8H14N2O.ClH/c1-10-6-8(7(10)11)2-4-9-5-3-8;/h9H,2-6H2,1H3;1H
InChIKeyDOCRHJFZMMRSFF-UHFFFAOYSA-N
XLogP0.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,7-diazaspiro[3.5]nonan-3-one;hydrochloride?
The IUPAC name of 2-methyl-2,7-diazaspiro[3.5]nonan-3-one;hydrochloride (CID 135392414) is 2-methyl-2,7-diazaspiro[3.5]nonan-3-one;hydrochloride.
What is the SMILES notation for 2-methyl-2,7-diazaspiro[3.5]nonan-3-one;hydrochloride?
The canonical SMILES for 2-methyl-2,7-diazaspiro[3.5]nonan-3-one;hydrochloride is CN1CC2(CCNCC2)C1=O.Cl.
What is the InChIKey of 2-methyl-2,7-diazaspiro[3.5]nonan-3-one;hydrochloride?
The InChIKey is DOCRHJFZMMRSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O.ClH/c1-10-6-8(7(10)11)2-4-9-5-3-8;/h9H,2-6H2,1H3;1H.
What are the key properties of 2-methyl-2,7-diazaspiro[3.5]nonan-3-one;hydrochloride?
2-methyl-2,7-diazaspiro[3.5]nonan-3-one;hydrochloride has a molecular weight of 190.67 g/mol, XLogP of 0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,7-diazaspiro[3.5]nonan-3-one;hydrochloride is sourced from PubChem (CID 135392414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).