3-propan-2-yl-3-azabicyclo[3.2.0]heptan-6-one

C9H15NO — CID 123415908

IUPAC3-propan-2-yl-3-azabicyclo[3.2.0]heptan-6-one
SMILESCC(C)N1CC2CC(=O)C2C1
InChIInChI=1S/C9H15NO/c1-6(2)10-4-7-3-9(11)8(7)5-10/h6-8H,3-5H2,1-2H3
InChIKeyOJDDXNMAIHKREP-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.92
Rot. Bonds1

About 3-propan-2-yl-3-azabicyclo[3.2.0]heptan-6-one

3-propan-2-yl-3-azabicyclo[3.2.0]heptan-6-one (PubChem CID 123415908) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3-propan-2-yl-3-azabicyclo[3.2.0]heptan-6-one.

Molecular Properties

Compound Name3-propan-2-yl-3-azabicyclo[3.2.0]heptan-6-one
PubChem CID123415908
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3-propan-2-yl-3-azabicyclo[3.2.0]heptan-6-one
SMILESCC(C)N1CC2CC(=O)C2C1
InChIInChI=1S/C9H15NO/c1-6(2)10-4-7-3-9(11)8(7)5-10/h6-8H,3-5H2,1-2H3
InChIKeyOJDDXNMAIHKREP-UHFFFAOYSA-N
XLogP0.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-3-azabicyclo[3.2.0]heptan-6-one?
The IUPAC name of 3-propan-2-yl-3-azabicyclo[3.2.0]heptan-6-one (CID 123415908) is 3-propan-2-yl-3-azabicyclo[3.2.0]heptan-6-one.
What is the SMILES notation for 3-propan-2-yl-3-azabicyclo[3.2.0]heptan-6-one?
The canonical SMILES for 3-propan-2-yl-3-azabicyclo[3.2.0]heptan-6-one is CC(C)N1CC2CC(=O)C2C1.
What is the InChIKey of 3-propan-2-yl-3-azabicyclo[3.2.0]heptan-6-one?
The InChIKey is OJDDXNMAIHKREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-6(2)10-4-7-3-9(11)8(7)5-10/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-propan-2-yl-3-azabicyclo[3.2.0]heptan-6-one?
3-propan-2-yl-3-azabicyclo[3.2.0]heptan-6-one has a molecular weight of 153.22 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-3-azabicyclo[3.2.0]heptan-6-one is sourced from PubChem (CID 123415908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).