3,5-diacetyl-3,5-diazatricyclo[5.3.0.02,6]decan-4-one

C12H16N2O3 — CID 12710759

IUPAC3,5-diacetyl-3,5-diazatricyclo[5.3.0.02,6]decan-4-one
SMILESCC(=O)N1C(=O)N(C(C)=O)C2C3CCCC3C21
InChIInChI=1S/C12H16N2O3/c1-6(15)13-10-8-4-3-5-9(8)11(10)14(7(2)16)12(13)17/h8-11H,3-5H2,1-2H3
InChIKeyJDKNOOOXZKFVPC-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.98
Rot. Bonds

About 3,5-diacetyl-3,5-diazatricyclo[5.3.0.02,6]decan-4-one

3,5-diacetyl-3,5-diazatricyclo[5.3.0.02,6]decan-4-one (PubChem CID 12710759) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3,5-diacetyl-3,5-diazatricyclo[5.3.0.02,6]decan-4-one.

Molecular Properties

Compound Name3,5-diacetyl-3,5-diazatricyclo[5.3.0.02,6]decan-4-one
PubChem CID12710759
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3,5-diacetyl-3,5-diazatricyclo[5.3.0.02,6]decan-4-one
SMILESCC(=O)N1C(=O)N(C(C)=O)C2C3CCCC3C21
InChIInChI=1S/C12H16N2O3/c1-6(15)13-10-8-4-3-5-9(8)11(10)14(7(2)16)12(13)17/h8-11H,3-5H2,1-2H3
InChIKeyJDKNOOOXZKFVPC-UHFFFAOYSA-N
XLogP0.98
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,5-diacetyl-3,5-diazatricyclo[5.3.0.02,6]decan-4-one with MolForge

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Related Compounds

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CID 89146118
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CID 101119809
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CID 2832048
1-(2,6-dimethoxypiperidin-1-yl)ethanone
CID 21322863
1-(8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 158227486
(3aR,6aR)-3,6-diacetyl-1,4-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 832248
3,6-diacetyl-1,4-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 646967
(3aS,6aS)-3,6-diacetyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
CID 712333
(3aR,6aR)-4,6-diacetyl-1,3-diethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 726237
1-acetyl-5-fluoropyrrolidin-2-one
CID 45085880
1-[(3aR,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethanone
CID 18644989
(4aS,7aS)-1-acetyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid
CID 167740733

Frequently Asked Questions

What is the IUPAC name of 3,5-diacetyl-3,5-diazatricyclo[5.3.0.02,6]decan-4-one?
The IUPAC name of 3,5-diacetyl-3,5-diazatricyclo[5.3.0.02,6]decan-4-one (CID 12710759) is 3,5-diacetyl-3,5-diazatricyclo[5.3.0.02,6]decan-4-one.
What is the SMILES notation for 3,5-diacetyl-3,5-diazatricyclo[5.3.0.02,6]decan-4-one?
The canonical SMILES for 3,5-diacetyl-3,5-diazatricyclo[5.3.0.02,6]decan-4-one is CC(=O)N1C(=O)N(C(C)=O)C2C3CCCC3C21.
What is the InChIKey of 3,5-diacetyl-3,5-diazatricyclo[5.3.0.02,6]decan-4-one?
The InChIKey is JDKNOOOXZKFVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-6(15)13-10-8-4-3-5-9(8)11(10)14(7(2)16)12(13)17/h8-11H,3-5H2,1-2H3.
What are the key properties of 3,5-diacetyl-3,5-diazatricyclo[5.3.0.02,6]decan-4-one?
3,5-diacetyl-3,5-diazatricyclo[5.3.0.02,6]decan-4-one has a molecular weight of 236.27 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diacetyl-3,5-diazatricyclo[5.3.0.02,6]decan-4-one is sourced from PubChem (CID 12710759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).