1-(3-amino-2-bicyclo[2.2.1]heptanyl)ethanone

C9H15NO — CID 58339472

IUPAC1-(3-amino-2-bicyclo[2.2.1]heptanyl)ethanone
SMILESCC(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C9H15NO/c1-5(11)8-6-2-3-7(4-6)9(8)10/h6-9H,2-4,10H2,1H3
InChIKeyAWJRGXKQDURKDE-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.95
Rot. Bonds1

About 1-(3-amino-2-bicyclo[2.2.1]heptanyl)ethanone

1-(3-amino-2-bicyclo[2.2.1]heptanyl)ethanone (PubChem CID 58339472) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-(3-amino-2-bicyclo[2.2.1]heptanyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-2-bicyclo[2.2.1]heptanyl)ethanone
PubChem CID58339472
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-(3-amino-2-bicyclo[2.2.1]heptanyl)ethanone
SMILESCC(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C9H15NO/c1-5(11)8-6-2-3-7(4-6)9(8)10/h6-9H,2-4,10H2,1H3
InChIKeyAWJRGXKQDURKDE-UHFFFAOYSA-N
XLogP0.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-bicyclo[2.2.1]heptanyl)ethanone?
The IUPAC name of 1-(3-amino-2-bicyclo[2.2.1]heptanyl)ethanone (CID 58339472) is 1-(3-amino-2-bicyclo[2.2.1]heptanyl)ethanone.
What is the SMILES notation for 1-(3-amino-2-bicyclo[2.2.1]heptanyl)ethanone?
The canonical SMILES for 1-(3-amino-2-bicyclo[2.2.1]heptanyl)ethanone is CC(=O)C1C2CCC(C2)C1N.
What is the InChIKey of 1-(3-amino-2-bicyclo[2.2.1]heptanyl)ethanone?
The InChIKey is AWJRGXKQDURKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-5(11)8-6-2-3-7(4-6)9(8)10/h6-9H,2-4,10H2,1H3.
What are the key properties of 1-(3-amino-2-bicyclo[2.2.1]heptanyl)ethanone?
1-(3-amino-2-bicyclo[2.2.1]heptanyl)ethanone has a molecular weight of 153.22 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-bicyclo[2.2.1]heptanyl)ethanone is sourced from PubChem (CID 58339472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).