1-methoxy-2-azabicyclo[2.2.1]heptan-3-one

C7H11NO2 — CID 142294912

IUPAC1-methoxy-2-azabicyclo[2.2.1]heptan-3-one
SMILESCOC12CCC(C1)C(=O)N2
InChIInChI=1S/C7H11NO2/c1-10-7-3-2-5(4-7)6(9)8-7/h5H,2-4H2,1H3,(H,8,9)
InChIKeyNRXCHEHUWIYBCW-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.26
Rot. Bonds1

About 1-methoxy-2-azabicyclo[2.2.1]heptan-3-one

1-methoxy-2-azabicyclo[2.2.1]heptan-3-one (PubChem CID 142294912) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-methoxy-2-azabicyclo[2.2.1]heptan-3-one.

Molecular Properties

Compound Name1-methoxy-2-azabicyclo[2.2.1]heptan-3-one
PubChem CID142294912
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name1-methoxy-2-azabicyclo[2.2.1]heptan-3-one
SMILESCOC12CCC(C1)C(=O)N2
InChIInChI=1S/C7H11NO2/c1-10-7-3-2-5(4-7)6(9)8-7/h5H,2-4H2,1H3,(H,8,9)
InChIKeyNRXCHEHUWIYBCW-UHFFFAOYSA-N
XLogP0.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-azabicyclo[2.2.1]heptan-3-one?
The IUPAC name of 1-methoxy-2-azabicyclo[2.2.1]heptan-3-one (CID 142294912) is 1-methoxy-2-azabicyclo[2.2.1]heptan-3-one.
What is the SMILES notation for 1-methoxy-2-azabicyclo[2.2.1]heptan-3-one?
The canonical SMILES for 1-methoxy-2-azabicyclo[2.2.1]heptan-3-one is COC12CCC(C1)C(=O)N2.
What is the InChIKey of 1-methoxy-2-azabicyclo[2.2.1]heptan-3-one?
The InChIKey is NRXCHEHUWIYBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-10-7-3-2-5(4-7)6(9)8-7/h5H,2-4H2,1H3,(H,8,9).
What are the key properties of 1-methoxy-2-azabicyclo[2.2.1]heptan-3-one?
1-methoxy-2-azabicyclo[2.2.1]heptan-3-one has a molecular weight of 141.17 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-azabicyclo[2.2.1]heptan-3-one is sourced from PubChem (CID 142294912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).