6-ethyl-4-methyl-2-azabicyclo[2.2.1]heptan-3-one

C9H15NO — CID 21354415

IUPAC6-ethyl-4-methyl-2-azabicyclo[2.2.1]heptan-3-one
SMILESCCC1CC2(C)CC1NC2=O
InChIInChI=1S/C9H15NO/c1-3-6-4-9(2)5-7(6)10-8(9)11/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyLVMNRAWAFAECEW-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.31
Rot. Bonds1

About 6-ethyl-4-methyl-2-azabicyclo[2.2.1]heptan-3-one

6-ethyl-4-methyl-2-azabicyclo[2.2.1]heptan-3-one (PubChem CID 21354415) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 6-ethyl-4-methyl-2-azabicyclo[2.2.1]heptan-3-one.

Molecular Properties

Compound Name6-ethyl-4-methyl-2-azabicyclo[2.2.1]heptan-3-one
PubChem CID21354415
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name6-ethyl-4-methyl-2-azabicyclo[2.2.1]heptan-3-one
SMILESCCC1CC2(C)CC1NC2=O
InChIInChI=1S/C9H15NO/c1-3-6-4-9(2)5-7(6)10-8(9)11/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyLVMNRAWAFAECEW-UHFFFAOYSA-N
XLogP1.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-methyl-2-azabicyclo[2.2.1]heptan-3-one?
The IUPAC name of 6-ethyl-4-methyl-2-azabicyclo[2.2.1]heptan-3-one (CID 21354415) is 6-ethyl-4-methyl-2-azabicyclo[2.2.1]heptan-3-one.
What is the SMILES notation for 6-ethyl-4-methyl-2-azabicyclo[2.2.1]heptan-3-one?
The canonical SMILES for 6-ethyl-4-methyl-2-azabicyclo[2.2.1]heptan-3-one is CCC1CC2(C)CC1NC2=O.
What is the InChIKey of 6-ethyl-4-methyl-2-azabicyclo[2.2.1]heptan-3-one?
The InChIKey is LVMNRAWAFAECEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-6-4-9(2)5-7(6)10-8(9)11/h6-7H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 6-ethyl-4-methyl-2-azabicyclo[2.2.1]heptan-3-one?
6-ethyl-4-methyl-2-azabicyclo[2.2.1]heptan-3-one has a molecular weight of 153.22 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-methyl-2-azabicyclo[2.2.1]heptan-3-one is sourced from PubChem (CID 21354415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).