1-[(1R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]ethanone

C9H15NO — CID 58339547

IUPAC1-[(1R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]ethanone
SMILESCC(=O)C1C(N)[C@H]2CC[C@@H]1C2
InChIInChI=1S/C9H15NO/c1-5(11)8-6-2-3-7(4-6)9(8)10/h6-9H,2-4,10H2,1H3/t6-,7+,8?,9?/m1/s1
InChIKeyAWJRGXKQDURKDE-DKATWDMPSA-N
MW153.22 g/mol
LogP0.95
Rot. Bonds1

About 1-[(1R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]ethanone

1-[(1R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]ethanone (PubChem CID 58339547) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-[(1R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]ethanone.

Molecular Properties

Compound Name1-[(1R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]ethanone
PubChem CID58339547
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-[(1R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]ethanone
SMILESCC(=O)C1C(N)[C@H]2CC[C@@H]1C2
InChIInChI=1S/C9H15NO/c1-5(11)8-6-2-3-7(4-6)9(8)10/h6-9H,2-4,10H2,1H3/t6-,7+,8?,9?/m1/s1
InChIKeyAWJRGXKQDURKDE-DKATWDMPSA-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-[(1R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]ethanone?
The IUPAC name of 1-[(1R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]ethanone (CID 58339547) is 1-[(1R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]ethanone.
What is the SMILES notation for 1-[(1R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]ethanone?
The canonical SMILES for 1-[(1R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]ethanone is CC(=O)C1C(N)[C@H]2CC[C@@H]1C2.
What is the InChIKey of 1-[(1R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]ethanone?
The InChIKey is AWJRGXKQDURKDE-DKATWDMPSA-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/t6-,7+,8?,9?/m1/s1.
What are the key properties of 1-[(1R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]ethanone?
1-[(1R,4S)-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-[(1R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]ethanone is sourced from PubChem (CID 58339547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).