Basic information
- CAS
6335-43-9- Standard SMILES
O=C1C2CCCC1C(N1CCCC1)CC2- InChIKey
NCTHTNCTMQAJDU-UHFFFAOYSA-N- Molecular formula
- C13H21NO
- Average molar mass
- 207.31 g/mol
- Monoisotopic mass
- 207.16231429
Names & identifiers
- Preferred name
- 2-(1-Pyrrolidinyl)bicyclo[3.3.1]nonan-9-one
- IUPAC
- 2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-one
- English name
- 2-(1-Pyrrolidinyl)bicyclo[3.3.1]nonan-9-one
- Molecular formula
- C13H21NO
- Molecular weight
- 207.31
Names & synonyms
6335-43-92-(1-Pyrrolidinyl)bicyclo(3.3.1)nonan-9-oneNSC 29649BRN 0154687BICYCLO(3.3.1)NONAN-9-ONE, 2-(1-PYRROLIDINYL)-2-(1-pyrrolidinyl)bicyclo[3.3.1]nonan-9-one4-20-00-00172 (Beilstein Handbook Reference)2-Pyrrolidin-1-yl-bicyclo[3.3.1]nonan-9-one2-Pyrrolidin-1-yl-bicyclo(3.3.1)nonan-9-oneRefChem:249868NCTHTNCTMQAJDU-UHFFFAOYSA-N2-(pyrrolidin-1-yl)bicyclo[3.3.1]nonan-9-one
Show more names
Bicyclo[3.3.1]nonan-9-one, 2-(1-pyrrolidinyl)-
2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-oneNSC29649Oprea1_682266CHEMBL1618207DTXSID80979487CCG-19397NSC-29649EU-0010042
Database identifiers
- CAS
6335-43-9- PubChem CID
- 22802
- DTXSID
DTXSID80979487- ChEMBL
CHEMBL1618207- Nikkaji
- J78.950J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Boiling point
- 104 · 104-110 °C(Press: 8.4 Torr)
- Density
- 1.087 · 1.087±0.06 g/cm3(Predicted)
- pka
- 9.65 · 9.65±0.20(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…