3-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one

C11H18N2O2 — CID 172640367

IUPAC3-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
SMILESCC(=O)N1CC2(C)CNCC(C)(C1)C2=O
InChIInChI=1S/C11H18N2O2/c1-8(14)13-6-10(2)4-12-5-11(3,7-13)9(10)15/h12H,4-7H2,1-3H3
InChIKeyPGJUEKWWQPZAFI-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.03
Rot. Bonds

About 3-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one

3-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one (PubChem CID 172640367) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one.

Molecular Properties

Compound Name3-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
PubChem CID172640367
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
SMILESCC(=O)N1CC2(C)CNCC(C)(C1)C2=O
InChIInChI=1S/C11H18N2O2/c1-8(14)13-6-10(2)4-12-5-11(3,7-13)9(10)15/h12H,4-7H2,1-3H3
InChIKeyPGJUEKWWQPZAFI-UHFFFAOYSA-N
XLogP0.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,7-Diacetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonane
CID 592389
1-(1,5-Dimethyl-7-propionyl-3,7-diaza-bicyclo[3.3.1]non-3-yl)-propan-1-one
CID 653818
1-(3,7-Diazabicyclo[3.3.1]nonan-3-yl)propan-1-one
CID 44222896
1-(3,7-Diazabicyclo[3.3.1]nonan-3-yl)ethan-1-one
CID 44223132
1,5-Dimethyl-3,7-diazabicyclo(3.3.1)nonan-9-one
CID 768164
3,7-Diacetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 580199
3,7-Diazabicyclo(3.3.1)nonan-9-one, 1,5-dimethyl-, dihydrochloride
CID 3075225
1,5-Dimethyl-3,7-di(prop-2-ynoyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 166626129
1,5-Dimethyl-3,7-dipentanoyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 649912
3,7-Diacetyl-1,5-diethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 707430
1-[(1S,5R)-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethanone
CID 67201147
1,5-Dimethyl-3,7-bis(3-methylbutanoyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 832217

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
The IUPAC name of 3-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one (CID 172640367) is 3-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one.
What is the SMILES notation for 3-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
The canonical SMILES for 3-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one is CC(=O)N1CC2(C)CNCC(C)(C1)C2=O.
What is the InChIKey of 3-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
The InChIKey is PGJUEKWWQPZAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(14)13-6-10(2)4-12-5-11(3,7-13)9(10)15/h12H,4-7H2,1-3H3.
What are the key properties of 3-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
3-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one has a molecular weight of 210.28 g/mol, XLogP of 0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one is sourced from PubChem (CID 172640367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).