4,7,7-trimethyl-2-azabicyclo[2.2.1]heptan-3-one

C9H15NO — CID 4992451

IUPAC4,7,7-trimethyl-2-azabicyclo[2.2.1]heptan-3-one
SMILESCC12CCC(NC1=O)C2(C)C
InChIInChI=1S/C9H15NO/c1-8(2)6-4-5-9(8,3)7(11)10-6/h6H,4-5H2,1-3H3,(H,10,11)
InChIKeyOSAYUIJRYXXRAG-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.31
Rot. Bonds

About 4,7,7-trimethyl-2-azabicyclo[2.2.1]heptan-3-one

4,7,7-trimethyl-2-azabicyclo[2.2.1]heptan-3-one (PubChem CID 4992451) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4,7,7-trimethyl-2-azabicyclo[2.2.1]heptan-3-one.

Molecular Properties

Compound Name4,7,7-trimethyl-2-azabicyclo[2.2.1]heptan-3-one
PubChem CID4992451
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4,7,7-trimethyl-2-azabicyclo[2.2.1]heptan-3-one
SMILESCC12CCC(NC1=O)C2(C)C
InChIInChI=1S/C9H15NO/c1-8(2)6-4-5-9(8,3)7(11)10-6/h6H,4-5H2,1-3H3,(H,10,11)
InChIKeyOSAYUIJRYXXRAG-UHFFFAOYSA-N
XLogP1.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
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 4,7,7-trimethyl-2-azabicyclo[2.2.1]heptan-3-one?
The IUPAC name of 4,7,7-trimethyl-2-azabicyclo[2.2.1]heptan-3-one (CID 4992451) is 4,7,7-trimethyl-2-azabicyclo[2.2.1]heptan-3-one.
What is the SMILES notation for 4,7,7-trimethyl-2-azabicyclo[2.2.1]heptan-3-one?
The canonical SMILES for 4,7,7-trimethyl-2-azabicyclo[2.2.1]heptan-3-one is CC12CCC(NC1=O)C2(C)C.
What is the InChIKey of 4,7,7-trimethyl-2-azabicyclo[2.2.1]heptan-3-one?
The InChIKey is OSAYUIJRYXXRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-8(2)6-4-5-9(8,3)7(11)10-6/h6H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 4,7,7-trimethyl-2-azabicyclo[2.2.1]heptan-3-one?
4,7,7-trimethyl-2-azabicyclo[2.2.1]heptan-3-one has a molecular weight of 153.22 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7-trimethyl-2-azabicyclo[2.2.1]heptan-3-one is sourced from PubChem (CID 4992451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).