(4R)-2-azabicyclo[2.2.1]heptan-3-one

C6H9NO — CID 89192644

IUPAC(4R)-2-azabicyclo[2.2.1]heptan-3-one
SMILESO=C1NC2CC[C@@H]1C2
InChIInChI=1S/C6H9NO/c8-6-4-1-2-5(3-4)7-6/h4-5H,1-3H2,(H,7,8)/t4-,5?/m1/s1
InChIKeyUIVLZOWDXYXITH-CNZKWPKMSA-N
MW111.14 g/mol
LogP0.28
Rot. Bonds

About (4R)-2-azabicyclo[2.2.1]heptan-3-one

(4R)-2-azabicyclo[2.2.1]heptan-3-one (PubChem CID 89192644) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (4R)-2-azabicyclo[2.2.1]heptan-3-one.

Molecular Properties

Compound Name(4R)-2-azabicyclo[2.2.1]heptan-3-one
PubChem CID89192644
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(4R)-2-azabicyclo[2.2.1]heptan-3-one
SMILESO=C1NC2CC[C@@H]1C2
InChIInChI=1S/C6H9NO/c8-6-4-1-2-5(3-4)7-6/h4-5H,1-3H2,(H,7,8)/t4-,5?/m1/s1
InChIKeyUIVLZOWDXYXITH-CNZKWPKMSA-N
XLogP0.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-azabicyclo[2.2.1]heptan-3-one?
The IUPAC name of (4R)-2-azabicyclo[2.2.1]heptan-3-one (CID 89192644) is (4R)-2-azabicyclo[2.2.1]heptan-3-one.
What is the SMILES notation for (4R)-2-azabicyclo[2.2.1]heptan-3-one?
The canonical SMILES for (4R)-2-azabicyclo[2.2.1]heptan-3-one is O=C1NC2CC[C@@H]1C2.
What is the InChIKey of (4R)-2-azabicyclo[2.2.1]heptan-3-one?
The InChIKey is UIVLZOWDXYXITH-CNZKWPKMSA-N. The full InChI is InChI=1S/C6H9NO/c8-6-4-1-2-5(3-4)7-6/h4-5H,1-3H2,(H,7,8)/t4-,5?/m1/s1.
What are the key properties of (4R)-2-azabicyclo[2.2.1]heptan-3-one?
(4R)-2-azabicyclo[2.2.1]heptan-3-one has a molecular weight of 111.14 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-azabicyclo[2.2.1]heptan-3-one is sourced from PubChem (CID 89192644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).