Basic information
- CAS
63658-01-5- Standard SMILES
O=C1NN=C2CCCCCCCCCCC12- InChIKey
MPDSCXNEHMWFIN-UHFFFAOYSA-N- Molecular formula
- C13H22N2O
- Average molar mass
- 222.33 g/mol
- Monoisotopic mass
- 222.17321333
Names & identifiers
- Preferred name
- Mls003115808
- IUPAC
- 2,3a,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[c]pyrazol-3-one
Names & synonyms
MLS00311580863658-01-5DTXSID60316634RefChem:357319DTXCID00267757NSC305349NSC-305349SMR0018313742,3a,4,5,6,7,8,9,10,11,12,13-Dodecahydro-3H-cyclododeca[c]pyrazol-3-one
Database identifiers
- CAS
63658-01-5- PubChem CID
- 328028
- DTXSID
DTXSID60316634
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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