(1R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-5-one

C7H11NO — CID 130337646

IUPAC(1R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-5-one
SMILESCN1C[C@H]2C[C@@H]1CC2=O
InChIInChI=1S/C7H11NO/c1-8-4-5-2-6(8)3-7(5)9/h5-6H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyJBEJIIIRMCKDBV-PHDIDXHHSA-N
MW125.17 g/mol
LogP0.28
Rot. Bonds

About (1R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-5-one

(1R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-5-one (PubChem CID 130337646) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (1R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-5-one.

Molecular Properties

Compound Name(1R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-5-one
PubChem CID130337646
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(1R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-5-one
SMILESCN1C[C@H]2C[C@@H]1CC2=O
InChIInChI=1S/C7H11NO/c1-8-4-5-2-6(8)3-7(5)9/h5-6H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyJBEJIIIRMCKDBV-PHDIDXHHSA-N
XLogP0.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-5-one?
The IUPAC name of (1R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-5-one (CID 130337646) is (1R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-5-one.
What is the SMILES notation for (1R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-5-one?
The canonical SMILES for (1R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-5-one is CN1C[C@H]2C[C@@H]1CC2=O.
What is the InChIKey of (1R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-5-one?
The InChIKey is JBEJIIIRMCKDBV-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H11NO/c1-8-4-5-2-6(8)3-7(5)9/h5-6H,2-4H2,1H3/t5-,6-/m1/s1.
What are the key properties of (1R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-5-one?
(1R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-5-one has a molecular weight of 125.17 g/mol, XLogP of 0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-5-one is sourced from PubChem (CID 130337646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).