1-(7-azabicyclo[2.2.1]heptan-7-yl)ethanone

C8H13NO — CID 23525651

IUPAC1-(7-azabicyclo[2.2.1]heptan-7-yl)ethanone
SMILESCC(=O)N1C2CCC1CC2
InChIInChI=1S/C8H13NO/c1-6(10)9-7-2-3-8(9)5-4-7/h7-8H,2-5H2,1H3
InChIKeyGWKBSPIMEBKHTM-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.16
Rot. Bonds

About 1-(7-azabicyclo[2.2.1]heptan-7-yl)ethanone

1-(7-azabicyclo[2.2.1]heptan-7-yl)ethanone (PubChem CID 23525651) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-(7-azabicyclo[2.2.1]heptan-7-yl)ethanone.

Molecular Properties

Compound Name1-(7-azabicyclo[2.2.1]heptan-7-yl)ethanone
PubChem CID23525651
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-(7-azabicyclo[2.2.1]heptan-7-yl)ethanone
SMILESCC(=O)N1C2CCC1CC2
InChIInChI=1S/C8H13NO/c1-6(10)9-7-2-3-8(9)5-4-7/h7-8H,2-5H2,1H3
InChIKeyGWKBSPIMEBKHTM-UHFFFAOYSA-N
XLogP1.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(7-azabicyclo[2.2.1]heptan-7-yl)ethanone?
The IUPAC name of 1-(7-azabicyclo[2.2.1]heptan-7-yl)ethanone (CID 23525651) is 1-(7-azabicyclo[2.2.1]heptan-7-yl)ethanone.
What is the SMILES notation for 1-(7-azabicyclo[2.2.1]heptan-7-yl)ethanone?
The canonical SMILES for 1-(7-azabicyclo[2.2.1]heptan-7-yl)ethanone is CC(=O)N1C2CCC1CC2.
What is the InChIKey of 1-(7-azabicyclo[2.2.1]heptan-7-yl)ethanone?
The InChIKey is GWKBSPIMEBKHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6(10)9-7-2-3-8(9)5-4-7/h7-8H,2-5H2,1H3.
What are the key properties of 1-(7-azabicyclo[2.2.1]heptan-7-yl)ethanone?
1-(7-azabicyclo[2.2.1]heptan-7-yl)ethanone has a molecular weight of 139.20 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-azabicyclo[2.2.1]heptan-7-yl)ethanone is sourced from PubChem (CID 23525651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).