(1R,2S,5R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-one

C13H21NO — CID 7114611

IUPAC(1R,2S,5R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-one
SMILESO=C1[C@@H]2CCC[C@@H]1[C@@H](N1CCCC1)CC2
InChIInChI=1S/C13H21NO/c15-13-10-4-3-5-11(13)12(7-6-10)14-8-1-2-9-14/h10-12H,1-9H2/t10-,11-,12+/m1/s1
InChIKeyNCTHTNCTMQAJDU-UTUOFQBUSA-N
MW207.32 g/mol
LogP2.23
Rot. Bonds1

About (1R,2S,5R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-one

(1R,2S,5R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-one (PubChem CID 7114611) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (1R,2S,5R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-one.

Molecular Properties

Compound Name(1R,2S,5R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-one
PubChem CID7114611
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(1R,2S,5R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-one
SMILESO=C1[C@@H]2CCC[C@@H]1[C@@H](N1CCCC1)CC2
InChIInChI=1S/C13H21NO/c15-13-10-4-3-5-11(13)12(7-6-10)14-8-1-2-9-14/h10-12H,1-9H2/t10-,11-,12+/m1/s1
InChIKeyNCTHTNCTMQAJDU-UTUOFQBUSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-one?
The IUPAC name of (1R,2S,5R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-one (CID 7114611) is (1R,2S,5R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-one.
What is the SMILES notation for (1R,2S,5R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-one?
The canonical SMILES for (1R,2S,5R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-one is O=C1[C@@H]2CCC[C@@H]1[C@@H](N1CCCC1)CC2.
What is the InChIKey of (1R,2S,5R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-one?
The InChIKey is NCTHTNCTMQAJDU-UTUOFQBUSA-N. The full InChI is InChI=1S/C13H21NO/c15-13-10-4-3-5-11(13)12(7-6-10)14-8-1-2-9-14/h10-12H,1-9H2/t10-,11-,12+/m1/s1.
What are the key properties of (1R,2S,5R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-one?
(1R,2S,5R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-one has a molecular weight of 207.32 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-one is sourced from PubChem (CID 7114611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).