(1S,5R)-4-ethyl-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-one

C10H15NO — CID 68636479

IUPAC(1S,5R)-4-ethyl-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-one
SMILESCCC1=CC(=O)[C@@H]2CC[C@H]1N2C
InChIInChI=1S/C10H15NO/c1-3-7-6-10(12)9-5-4-8(7)11(9)2/h6,8-9H,3-5H2,1-2H3/t8-,9+/m1/s1
InChIKeyCRJKZRFZWUCJOY-BDAKNGLRSA-N
MW165.24 g/mol
LogP1.37
Rot. Bonds1

About (1S,5R)-4-ethyl-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-one

(1S,5R)-4-ethyl-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-one (PubChem CID 68636479) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (1S,5R)-4-ethyl-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-one.

Molecular Properties

Compound Name(1S,5R)-4-ethyl-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-one
PubChem CID68636479
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(1S,5R)-4-ethyl-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-one
SMILESCCC1=CC(=O)[C@@H]2CC[C@H]1N2C
InChIInChI=1S/C10H15NO/c1-3-7-6-10(12)9-5-4-8(7)11(9)2/h6,8-9H,3-5H2,1-2H3/t8-,9+/m1/s1
InChIKeyCRJKZRFZWUCJOY-BDAKNGLRSA-N
XLogP1.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-4-ethyl-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-one?
The IUPAC name of (1S,5R)-4-ethyl-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-one (CID 68636479) is (1S,5R)-4-ethyl-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-one.
What is the SMILES notation for (1S,5R)-4-ethyl-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-one?
The canonical SMILES for (1S,5R)-4-ethyl-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-one is CCC1=CC(=O)[C@@H]2CC[C@H]1N2C.
What is the InChIKey of (1S,5R)-4-ethyl-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-one?
The InChIKey is CRJKZRFZWUCJOY-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-7-6-10(12)9-5-4-8(7)11(9)2/h6,8-9H,3-5H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of (1S,5R)-4-ethyl-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-one?
(1S,5R)-4-ethyl-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-one has a molecular weight of 165.24 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-4-ethyl-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-one is sourced from PubChem (CID 68636479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).