3-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one;hydrochloride

C8H15ClN2O — CID 131697768

IUPAC3-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one;hydrochloride
SMILESCN1CC2CCC(CC1=O)N2.Cl
InChIInChI=1S/C8H14N2O.ClH/c1-10-5-7-3-2-6(9-7)4-8(10)11;/h6-7,9H,2-5H2,1H3;1H
InChIKeyLIIDWBKFHFPWFM-UHFFFAOYSA-N
MW190.67 g/mol
LogP0.39
Rot. Bonds

About 3-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one;hydrochloride

3-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one;hydrochloride (PubChem CID 131697768) has the molecular formula C8H15ClN2O and a molecular weight of 190.67 g/mol. Its IUPAC name is 3-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one;hydrochloride.

Molecular Properties

Compound Name3-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one;hydrochloride
PubChem CID131697768
Molecular FormulaC8H15ClN2O
Molecular Weight190.67 g/mol
Exact Mass190.09
IUPAC Name3-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one;hydrochloride
SMILESCN1CC2CCC(CC1=O)N2.Cl
InChIInChI=1S/C8H14N2O.ClH/c1-10-5-7-3-2-6(9-7)4-8(10)11;/h6-7,9H,2-5H2,1H3;1H
InChIKeyLIIDWBKFHFPWFM-UHFFFAOYSA-N
XLogP0.39
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 ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one;hydrochloride?
The IUPAC name of 3-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one;hydrochloride (CID 131697768) is 3-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one;hydrochloride.
What is the SMILES notation for 3-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one;hydrochloride?
The canonical SMILES for 3-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one;hydrochloride is CN1CC2CCC(CC1=O)N2.Cl.
What is the InChIKey of 3-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one;hydrochloride?
The InChIKey is LIIDWBKFHFPWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O.ClH/c1-10-5-7-3-2-6(9-7)4-8(10)11;/h6-7,9H,2-5H2,1H3;1H.
What are the key properties of 3-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one;hydrochloride?
3-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one;hydrochloride has a molecular weight of 190.67 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one;hydrochloride is sourced from PubChem (CID 131697768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).