2-ethyl-2-azabicyclo[2.2.1]heptan-5-one

C8H13NO — CID 67989500

IUPAC2-ethyl-2-azabicyclo[2.2.1]heptan-5-one
SMILESCCN1CC2CC1CC2=O
InChIInChI=1S/C8H13NO/c1-2-9-5-6-3-7(9)4-8(6)10/h6-7H,2-5H2,1H3
InChIKeyRWUVUVUJCCWGEX-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.67
Rot. Bonds1

About 2-ethyl-2-azabicyclo[2.2.1]heptan-5-one

2-ethyl-2-azabicyclo[2.2.1]heptan-5-one (PubChem CID 67989500) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-ethyl-2-azabicyclo[2.2.1]heptan-5-one.

Molecular Properties

Compound Name2-ethyl-2-azabicyclo[2.2.1]heptan-5-one
PubChem CID67989500
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-ethyl-2-azabicyclo[2.2.1]heptan-5-one
SMILESCCN1CC2CC1CC2=O
InChIInChI=1S/C8H13NO/c1-2-9-5-6-3-7(9)4-8(6)10/h6-7H,2-5H2,1H3
InChIKeyRWUVUVUJCCWGEX-UHFFFAOYSA-N
XLogP0.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-2-azabicyclo[2.2.1]heptan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-azabicyclo[2.2.1]heptan-5-one?
The IUPAC name of 2-ethyl-2-azabicyclo[2.2.1]heptan-5-one (CID 67989500) is 2-ethyl-2-azabicyclo[2.2.1]heptan-5-one.
What is the SMILES notation for 2-ethyl-2-azabicyclo[2.2.1]heptan-5-one?
The canonical SMILES for 2-ethyl-2-azabicyclo[2.2.1]heptan-5-one is CCN1CC2CC1CC2=O.
What is the InChIKey of 2-ethyl-2-azabicyclo[2.2.1]heptan-5-one?
The InChIKey is RWUVUVUJCCWGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-9-5-6-3-7(9)4-8(6)10/h6-7H,2-5H2,1H3.
What are the key properties of 2-ethyl-2-azabicyclo[2.2.1]heptan-5-one?
2-ethyl-2-azabicyclo[2.2.1]heptan-5-one has a molecular weight of 139.20 g/mol, XLogP of 0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-azabicyclo[2.2.1]heptan-5-one is sourced from PubChem (CID 67989500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).