1-azatricyclo[4.4.0.02,8]decan-3-one

C9H13NO — CID 90792635

IUPAC1-azatricyclo[4.4.0.02,8]decan-3-one
SMILESO=C1CCC2CC3CCN2C13
InChIInChI=1S/C9H13NO/c11-8-2-1-7-5-6-3-4-10(7)9(6)8/h6-7,9H,1-5H2
InChIKeyDJJVHADHZYSHKU-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.81
Rot. Bonds

About 1-azatricyclo[4.4.0.02,8]decan-3-one

1-azatricyclo[4.4.0.02,8]decan-3-one (PubChem CID 90792635) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-azatricyclo[4.4.0.02,8]decan-3-one.

Molecular Properties

Compound Name1-azatricyclo[4.4.0.02,8]decan-3-one
PubChem CID90792635
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-azatricyclo[4.4.0.02,8]decan-3-one
SMILESO=C1CCC2CC3CCN2C13
InChIInChI=1S/C9H13NO/c11-8-2-1-7-5-6-3-4-10(7)9(6)8/h6-7,9H,1-5H2
InChIKeyDJJVHADHZYSHKU-UHFFFAOYSA-N
XLogP0.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5S)-8-methyl-1-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-2-one
CID 141999062
1-(8-Methyl-8-azabicyclo[3.2.1]octan-2-yl)ethanone
CID 18995706
2beta-Propanoyl tropane
CID 129712120
7-Azatricyclo[4.3.1.03,7]decan-9-one
CID 15639106
3,4,6,6,7,7,8-Heptamethyl-8-azabicyclo[3.2.1]octan-2-one
CID 22949078
3,4,6,7,8-Pentamethyl-8-azabicyclo[3.2.1]octan-2-one
CID 22949080
1-(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-2-one
CID 83906543
3-Methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-2-one
CID 85280071
1-(2,6-Dimethyl-2-azabicyclo[3.1.0]hexan-3-yl)ethanone
CID 126639080
1-[(1S,3S,5R,6S)-2,6-dimethyl-2-azabicyclo[3.1.0]hexan-3-yl]ethanone
CID 134257488
1-[(3S,6S)-2,6-dimethyl-2-azabicyclo[3.1.0]hexan-3-yl]ethanone
CID 134257489
3,4,6,6,7,7,8-Heptamethyl-8-azabicyclo[3.2.1]octan-2-one;vanadium
CID 157756568

Frequently Asked Questions

What is the IUPAC name of 1-azatricyclo[4.4.0.02,8]decan-3-one?
The IUPAC name of 1-azatricyclo[4.4.0.02,8]decan-3-one (CID 90792635) is 1-azatricyclo[4.4.0.02,8]decan-3-one.
What is the SMILES notation for 1-azatricyclo[4.4.0.02,8]decan-3-one?
The canonical SMILES for 1-azatricyclo[4.4.0.02,8]decan-3-one is O=C1CCC2CC3CCN2C13.
What is the InChIKey of 1-azatricyclo[4.4.0.02,8]decan-3-one?
The InChIKey is DJJVHADHZYSHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c11-8-2-1-7-5-6-3-4-10(7)9(6)8/h6-7,9H,1-5H2.
What are the key properties of 1-azatricyclo[4.4.0.02,8]decan-3-one?
1-azatricyclo[4.4.0.02,8]decan-3-one has a molecular weight of 151.21 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azatricyclo[4.4.0.02,8]decan-3-one is sourced from PubChem (CID 90792635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).