2-acetyl-11-(methylamino)-1-azatricyclo[6.4.1.04,13]tridecan-12-one

C15H24N2O2 — CID 58850001

IUPAC2-acetyl-11-(methylamino)-1-azatricyclo[6.4.1.04,13]tridecan-12-one
SMILESCNC1CCC2CCCC3CC(C(C)=O)N(C1=O)C23
InChIInChI=1S/C15H24N2O2/c1-9(18)13-8-11-5-3-4-10-6-7-12(16-2)15(19)17(13)14(10)11/h10-14,16H,3-8H2,1-2H3
InChIKeyVDXUKJVKBSMANH-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.34
Rot. Bonds2

About 2-acetyl-11-(methylamino)-1-azatricyclo[6.4.1.04,13]tridecan-12-one

2-acetyl-11-(methylamino)-1-azatricyclo[6.4.1.04,13]tridecan-12-one (PubChem CID 58850001) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-acetyl-11-(methylamino)-1-azatricyclo[6.4.1.04,13]tridecan-12-one.

Molecular Properties

Compound Name2-acetyl-11-(methylamino)-1-azatricyclo[6.4.1.04,13]tridecan-12-one
PubChem CID58850001
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-acetyl-11-(methylamino)-1-azatricyclo[6.4.1.04,13]tridecan-12-one
SMILESCNC1CCC2CCCC3CC(C(C)=O)N(C1=O)C23
InChIInChI=1S/C15H24N2O2/c1-9(18)13-8-11-5-3-4-10-6-7-12(16-2)15(19)17(13)14(10)11/h10-14,16H,3-8H2,1-2H3
InChIKeyVDXUKJVKBSMANH-UHFFFAOYSA-N
XLogP1.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[2-acetyl-11-(methylamino)-12-oxo-1-azatricyclo[6.4.1.04,13]tridecan-6-yl]acetyl]-7-(methylamino)-1,3,4,7,8,9,10,10a-octahydro-[1,4]oxazino[4,3-a]azepin-6-one
CID 143089459
6-acetyl-3-(methylamino)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 58849777
(4S,7S)-2,7-diacetyl-4-(methylamino)-1,3,4,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepin-5-one
CID 59902604
1-(2-bicyclo[2.2.1]heptanyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 23554946
4-acetyl-7-(methylamino)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]thiazin-6-one
CID 58849882
4-(methylamino)-5-oxo-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]oxazepine-7-carboxylic acid
CID 23519419
(4S,7S)-4-acetyl-7-(methylamino)-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepin-6-one
CID 59961015
(6S)-3-acetyl-6-(methylamino)-2,3,6,7,8,9-hexahydro-1H-pyrazolo[1,2-a]diazepin-5-one
CID 163449564
1-ethyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 23554439
(7S,10aR)-7-acetyl-2-(2-methoxyacetyl)-4-(methylamino)-1,3,4,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepin-5-one
CID 59960935
7-acetyl-2-(2-methoxyacetyl)-4-(methylamino)-1,3,4,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepin-5-one
CID 22954592
1-(6-bicyclo[3.2.1]octanyl)-7-methyl-3-(methylamino)azepan-2-one
CID 22984752

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-11-(methylamino)-1-azatricyclo[6.4.1.04,13]tridecan-12-one?
The IUPAC name of 2-acetyl-11-(methylamino)-1-azatricyclo[6.4.1.04,13]tridecan-12-one (CID 58850001) is 2-acetyl-11-(methylamino)-1-azatricyclo[6.4.1.04,13]tridecan-12-one.
What is the SMILES notation for 2-acetyl-11-(methylamino)-1-azatricyclo[6.4.1.04,13]tridecan-12-one?
The canonical SMILES for 2-acetyl-11-(methylamino)-1-azatricyclo[6.4.1.04,13]tridecan-12-one is CNC1CCC2CCCC3CC(C(C)=O)N(C1=O)C23.
What is the InChIKey of 2-acetyl-11-(methylamino)-1-azatricyclo[6.4.1.04,13]tridecan-12-one?
The InChIKey is VDXUKJVKBSMANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-9(18)13-8-11-5-3-4-10-6-7-12(16-2)15(19)17(13)14(10)11/h10-14,16H,3-8H2,1-2H3.
What are the key properties of 2-acetyl-11-(methylamino)-1-azatricyclo[6.4.1.04,13]tridecan-12-one?
2-acetyl-11-(methylamino)-1-azatricyclo[6.4.1.04,13]tridecan-12-one has a molecular weight of 264.37 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-11-(methylamino)-1-azatricyclo[6.4.1.04,13]tridecan-12-one is sourced from PubChem (CID 58850001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).