(1S,5R)-3-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one

C10H17NO — CID 175626393

IUPAC(1S,5R)-3-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one
SMILESCCC1C[C@H]2CC[C@@H](C1=O)N2C
InChIInChI=1S/C10H17NO/c1-3-7-6-8-4-5-9(10(7)12)11(8)2/h7-9H,3-6H2,1-2H3/t7?,8-,9+/m1/s1
InChIKeyVYXWYDAYEHGWJI-ASODMVGOSA-N
MW167.25 g/mol
LogP1.45
Rot. Bonds1

About (1S,5R)-3-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one

(1S,5R)-3-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one (PubChem CID 175626393) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (1S,5R)-3-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one.

Molecular Properties

Compound Name(1S,5R)-3-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one
PubChem CID175626393
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(1S,5R)-3-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one
SMILESCCC1C[C@H]2CC[C@@H](C1=O)N2C
InChIInChI=1S/C10H17NO/c1-3-7-6-8-4-5-9(10(7)12)11(8)2/h7-9H,3-6H2,1-2H3/t7?,8-,9+/m1/s1
InChIKeyVYXWYDAYEHGWJI-ASODMVGOSA-N
XLogP1.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one?
The IUPAC name of (1S,5R)-3-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one (CID 175626393) is (1S,5R)-3-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one.
What is the SMILES notation for (1S,5R)-3-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one?
The canonical SMILES for (1S,5R)-3-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one is CCC1C[C@H]2CC[C@@H](C1=O)N2C.
What is the InChIKey of (1S,5R)-3-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one?
The InChIKey is VYXWYDAYEHGWJI-ASODMVGOSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-7-6-8-4-5-9(10(7)12)11(8)2/h7-9H,3-6H2,1-2H3/t7?,8-,9+/m1/s1.
What are the key properties of (1S,5R)-3-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one?
(1S,5R)-3-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one has a molecular weight of 167.25 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one is sourced from PubChem (CID 175626393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).