1-[5-(2-oxopropyl)-7-azabicyclo[2.2.1]heptan-2-yl]propan-2-one

C12H19NO2 — CID 140750264

IUPAC1-[5-(2-oxopropyl)-7-azabicyclo[2.2.1]heptan-2-yl]propan-2-one
SMILESCC(=O)CC1CC2NC1CC2CC(C)=O
InChIInChI=1S/C12H19NO2/c1-7(14)3-9-5-12-10(4-8(2)15)6-11(9)13-12/h9-13H,3-6H2,1-2H3
InChIKeyGNIUWDZUBLGMGG-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.31
Rot. Bonds4

About 1-[5-(2-oxopropyl)-7-azabicyclo[2.2.1]heptan-2-yl]propan-2-one

1-[5-(2-oxopropyl)-7-azabicyclo[2.2.1]heptan-2-yl]propan-2-one (PubChem CID 140750264) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[5-(2-oxopropyl)-7-azabicyclo[2.2.1]heptan-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-(2-oxopropyl)-7-azabicyclo[2.2.1]heptan-2-yl]propan-2-one
PubChem CID140750264
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-[5-(2-oxopropyl)-7-azabicyclo[2.2.1]heptan-2-yl]propan-2-one
SMILESCC(=O)CC1CC2NC1CC2CC(C)=O
InChIInChI=1S/C12H19NO2/c1-7(14)3-9-5-12-10(4-8(2)15)6-11(9)13-12/h9-13H,3-6H2,1-2H3
InChIKeyGNIUWDZUBLGMGG-UHFFFAOYSA-N
XLogP1.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-oxopropyl)-7-azabicyclo[2.2.1]heptan-2-yl]propan-2-one?
The IUPAC name of 1-[5-(2-oxopropyl)-7-azabicyclo[2.2.1]heptan-2-yl]propan-2-one (CID 140750264) is 1-[5-(2-oxopropyl)-7-azabicyclo[2.2.1]heptan-2-yl]propan-2-one.
What is the SMILES notation for 1-[5-(2-oxopropyl)-7-azabicyclo[2.2.1]heptan-2-yl]propan-2-one?
The canonical SMILES for 1-[5-(2-oxopropyl)-7-azabicyclo[2.2.1]heptan-2-yl]propan-2-one is CC(=O)CC1CC2NC1CC2CC(C)=O.
What is the InChIKey of 1-[5-(2-oxopropyl)-7-azabicyclo[2.2.1]heptan-2-yl]propan-2-one?
The InChIKey is GNIUWDZUBLGMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-7(14)3-9-5-12-10(4-8(2)15)6-11(9)13-12/h9-13H,3-6H2,1-2H3.
What are the key properties of 1-[5-(2-oxopropyl)-7-azabicyclo[2.2.1]heptan-2-yl]propan-2-one?
1-[5-(2-oxopropyl)-7-azabicyclo[2.2.1]heptan-2-yl]propan-2-one has a molecular weight of 209.29 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-oxopropyl)-7-azabicyclo[2.2.1]heptan-2-yl]propan-2-one is sourced from PubChem (CID 140750264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).