1-(6-azabicyclo[3.2.2]non-3-en-4-yl)propan-1-one

C11H17NO — CID 12036866

IUPAC1-(6-azabicyclo[3.2.2]non-3-en-4-yl)propan-1-one
SMILESCCC(=O)C1=CCC2CCC1NC2
InChIInChI=1S/C11H17NO/c1-2-11(13)9-5-3-8-4-6-10(9)12-7-8/h5,8,10,12H,2-4,6-7H2,1H3
InChIKeyNLFOTLOYWSTXCI-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.66
Rot. Bonds2

About 1-(6-azabicyclo[3.2.2]non-3-en-4-yl)propan-1-one

1-(6-azabicyclo[3.2.2]non-3-en-4-yl)propan-1-one (PubChem CID 12036866) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(6-azabicyclo[3.2.2]non-3-en-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(6-azabicyclo[3.2.2]non-3-en-4-yl)propan-1-one
PubChem CID12036866
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(6-azabicyclo[3.2.2]non-3-en-4-yl)propan-1-one
SMILESCCC(=O)C1=CCC2CCC1NC2
InChIInChI=1S/C11H17NO/c1-2-11(13)9-5-3-8-4-6-10(9)12-7-8/h5,8,10,12H,2-4,6-7H2,1H3
InChIKeyNLFOTLOYWSTXCI-UHFFFAOYSA-N
XLogP1.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-azabicyclo[3.2.2]non-3-en-4-yl)propan-1-one?
The IUPAC name of 1-(6-azabicyclo[3.2.2]non-3-en-4-yl)propan-1-one (CID 12036866) is 1-(6-azabicyclo[3.2.2]non-3-en-4-yl)propan-1-one.
What is the SMILES notation for 1-(6-azabicyclo[3.2.2]non-3-en-4-yl)propan-1-one?
The canonical SMILES for 1-(6-azabicyclo[3.2.2]non-3-en-4-yl)propan-1-one is CCC(=O)C1=CCC2CCC1NC2.
What is the InChIKey of 1-(6-azabicyclo[3.2.2]non-3-en-4-yl)propan-1-one?
The InChIKey is NLFOTLOYWSTXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-11(13)9-5-3-8-4-6-10(9)12-7-8/h5,8,10,12H,2-4,6-7H2,1H3.
What are the key properties of 1-(6-azabicyclo[3.2.2]non-3-en-4-yl)propan-1-one?
1-(6-azabicyclo[3.2.2]non-3-en-4-yl)propan-1-one has a molecular weight of 179.26 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-azabicyclo[3.2.2]non-3-en-4-yl)propan-1-one is sourced from PubChem (CID 12036866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).