ethane;3-ethyl-3-azabicyclo[3.2.1]octan-2-one

C11H21NO — CID 143012148

IUPACethane;3-ethyl-3-azabicyclo[3.2.1]octan-2-one
SMILESCC.CCN1CC2CCC(C2)C1=O
InChIInChI=1S/C9H15NO.C2H6/c1-2-10-6-7-3-4-8(5-7)9(10)11;1-2/h7-8H,2-6H2,1H3;1-2H3
InChIKeyLZKTVOWUQQZKGZ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.29
Rot. Bonds1

About ethane;3-ethyl-3-azabicyclo[3.2.1]octan-2-one

ethane;3-ethyl-3-azabicyclo[3.2.1]octan-2-one (PubChem CID 143012148) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is ethane;3-ethyl-3-azabicyclo[3.2.1]octan-2-one.

Molecular Properties

Compound Nameethane;3-ethyl-3-azabicyclo[3.2.1]octan-2-one
PubChem CID143012148
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Nameethane;3-ethyl-3-azabicyclo[3.2.1]octan-2-one
SMILESCC.CCN1CC2CCC(C2)C1=O
InChIInChI=1S/C9H15NO.C2H6/c1-2-10-6-7-3-4-8(5-7)9(10)11;1-2/h7-8H,2-6H2,1H3;1-2H3
InChIKeyLZKTVOWUQQZKGZ-UHFFFAOYSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-3-azabicyclo[3.2.1]octan-2-one?
The IUPAC name of ethane;3-ethyl-3-azabicyclo[3.2.1]octan-2-one (CID 143012148) is ethane;3-ethyl-3-azabicyclo[3.2.1]octan-2-one.
What is the SMILES notation for ethane;3-ethyl-3-azabicyclo[3.2.1]octan-2-one?
The canonical SMILES for ethane;3-ethyl-3-azabicyclo[3.2.1]octan-2-one is CC.CCN1CC2CCC(C2)C1=O.
What is the InChIKey of ethane;3-ethyl-3-azabicyclo[3.2.1]octan-2-one?
The InChIKey is LZKTVOWUQQZKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.C2H6/c1-2-10-6-7-3-4-8(5-7)9(10)11;1-2/h7-8H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;3-ethyl-3-azabicyclo[3.2.1]octan-2-one?
ethane;3-ethyl-3-azabicyclo[3.2.1]octan-2-one has a molecular weight of 183.29 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-3-azabicyclo[3.2.1]octan-2-one is sourced from PubChem (CID 143012148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).