7-amino-9-methyl-1-azabicyclo[3.3.1]nonan-3-one

C9H16N2O — CID 23046693

IUPAC7-amino-9-methyl-1-azabicyclo[3.3.1]nonan-3-one
SMILESCC1C2CC(=O)CN1CC(N)C2
InChIInChI=1S/C9H16N2O/c1-6-7-2-8(10)4-11(6)5-9(12)3-7/h6-8H,2-5,10H2,1H3
InChIKeyIRVQPWVWAOVWAX-UHFFFAOYSA-N
MW168.24 g/mol
LogP-0.00
Rot. Bonds

About 7-amino-9-methyl-1-azabicyclo[3.3.1]nonan-3-one

7-amino-9-methyl-1-azabicyclo[3.3.1]nonan-3-one (PubChem CID 23046693) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 7-amino-9-methyl-1-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name7-amino-9-methyl-1-azabicyclo[3.3.1]nonan-3-one
PubChem CID23046693
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name7-amino-9-methyl-1-azabicyclo[3.3.1]nonan-3-one
SMILESCC1C2CC(=O)CN1CC(N)C2
InChIInChI=1S/C9H16N2O/c1-6-7-2-8(10)4-11(6)5-9(12)3-7/h6-8H,2-5,10H2,1H3
InChIKeyIRVQPWVWAOVWAX-UHFFFAOYSA-N
XLogP-0.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-[(Dimethylamino)methyl]-1-azabicyclo[3.3.1]nonan-4-one;hydrochloride
CID 22504473
8-[(Dimethylamino)methyl]-1-azabicyclo[3.3.1]nonan-4-one
CID 22504474
2-(1-Methylpiperidin-4-yl)piperidin-3-one
CID 53699988
6,9-Dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one
CID 59793775
(1-Methylpiperidin-4-yl)-piperazin-2-ylmethanone
CID 69133646
9-Methyl-1-propyl-3,9-diazabicyclo[3.3.1]nonan-7-one
CID 69947769
2-Piperazin-1-yl-1-piperidin-4-ylpropan-1-one
CID 70595709
2-Piperazin-1-yl-1-piperidin-4-ylbutan-1-one
CID 70597480
1-(2,5-Dimethylpiperidin-4-yl)-2-piperazin-1-ylethanone
CID 70598991
2-(1-Methylpiperidin-3-yl)-1-piperazin-2-ylethanone
CID 91026003
2-(1-Methylpiperidin-4-yl)-1-piperazin-2-ylethanone
CID 91302387
N,N,3-trimethyl-3,9-diazabicyclo[3.3.1]nonane-7-carboxamide
CID 122544233

Frequently Asked Questions

What is the IUPAC name of 7-amino-9-methyl-1-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 7-amino-9-methyl-1-azabicyclo[3.3.1]nonan-3-one (CID 23046693) is 7-amino-9-methyl-1-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 7-amino-9-methyl-1-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 7-amino-9-methyl-1-azabicyclo[3.3.1]nonan-3-one is CC1C2CC(=O)CN1CC(N)C2.
What is the InChIKey of 7-amino-9-methyl-1-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is IRVQPWVWAOVWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-6-7-2-8(10)4-11(6)5-9(12)3-7/h6-8H,2-5,10H2,1H3.
What are the key properties of 7-amino-9-methyl-1-azabicyclo[3.3.1]nonan-3-one?
7-amino-9-methyl-1-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 168.24 g/mol, XLogP of -0.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-9-methyl-1-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 23046693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).