(1S,5R)-3-aminobicyclo[3.3.1]nonan-9-one

C9H15NO — CID 97033379

IUPAC(1S,5R)-3-aminobicyclo[3.3.1]nonan-9-one
SMILESNC1C[C@H]2CCC[C@@H](C1)C2=O
InChIInChI=1S/C9H15NO/c10-8-4-6-2-1-3-7(5-8)9(6)11/h6-8H,1-5,10H2/t6-,7+,8?
InChIKeyJOQIEAIFBWOMDU-DHBOJHSNSA-N
MW153.22 g/mol
LogP1.09
Rot. Bonds

About (1S,5R)-3-aminobicyclo[3.3.1]nonan-9-one

(1S,5R)-3-aminobicyclo[3.3.1]nonan-9-one (PubChem CID 97033379) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (1S,5R)-3-aminobicyclo[3.3.1]nonan-9-one.

Molecular Properties

Compound Name(1S,5R)-3-aminobicyclo[3.3.1]nonan-9-one
PubChem CID97033379
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(1S,5R)-3-aminobicyclo[3.3.1]nonan-9-one
SMILESNC1C[C@H]2CCC[C@@H](C1)C2=O
InChIInChI=1S/C9H15NO/c10-8-4-6-2-1-3-7(5-8)9(6)11/h6-8H,1-5,10H2/t6-,7+,8?
InChIKeyJOQIEAIFBWOMDU-DHBOJHSNSA-N
XLogP1.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-aminobicyclo[3.3.1]nonan-9-one?
The IUPAC name of (1S,5R)-3-aminobicyclo[3.3.1]nonan-9-one (CID 97033379) is (1S,5R)-3-aminobicyclo[3.3.1]nonan-9-one.
What is the SMILES notation for (1S,5R)-3-aminobicyclo[3.3.1]nonan-9-one?
The canonical SMILES for (1S,5R)-3-aminobicyclo[3.3.1]nonan-9-one is NC1C[C@H]2CCC[C@@H](C1)C2=O.
What is the InChIKey of (1S,5R)-3-aminobicyclo[3.3.1]nonan-9-one?
The InChIKey is JOQIEAIFBWOMDU-DHBOJHSNSA-N. The full InChI is InChI=1S/C9H15NO/c10-8-4-6-2-1-3-7(5-8)9(6)11/h6-8H,1-5,10H2/t6-,7+,8?.
What are the key properties of (1S,5R)-3-aminobicyclo[3.3.1]nonan-9-one?
(1S,5R)-3-aminobicyclo[3.3.1]nonan-9-one has a molecular weight of 153.22 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-aminobicyclo[3.3.1]nonan-9-one is sourced from PubChem (CID 97033379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).