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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one
CID 70169107
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 119457640
3-(6-aminopyridazin-3-yl)-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 141312596
(4S)-1-methyl-4-phenylpyrrolidin-2-one
CID 67575934
ethane;3-methyl-3,8-diazabicyclo[3.2.1]octane
CID 156708920
1-methyl-4-(4-methylphenyl)pyrrolidin-2-one
CID 71364641
4-amino-1-methylpyrrolidin-2-one;ethane
CID 145355415
(1R,6S)-3-pyridin-3-yl-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 141312605
(4S)-1-methyl-4-propan-2-ylpyrrolidin-2-one
CID 129101287
4-(4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 18361933
7-methyl-1,2,3,4,4a,5,8,8a-octahydro-1,7-naphthyridin-6-one
CID 142187825
(1S,6R)-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,9-diazabicyclo[4.2.1]nonan-4-one;dihydrochloride
CID 154925030

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).