Spiro[cyclohexane-1,2'(1'H)-quinazolin]-4'(3'H)-one
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Basic information
- CAS
950-31-2- Standard SMILES
O=C1NC2(CCCCC2)Nc2ccccc21- InChIKey
LUDINISIACCKKZ-UHFFFAOYSA-N- Molecular formula
- C13H16N2O
- Average molar mass
- 216.28 g/mol
- Monoisotopic mass
- 216.12626314
Names & identifiers
- Preferred name
- Spiro[cyclohexane-1,2'(1'H)-quinazolin]-4'(3'H)-one
- IUPAC
- spiro[1,3-dihydroquinazoline-2,1'-cyclohexane]-4-one
- English name
- 1H-SPIRO[CYCLOHEXANE-1,2-QUINAZOLIN]-4(3H)-ONE
- Molecular formula
- C13H16N2O
- Molecular weight
- 216.28
Names & synonyms
950-31-2Spiro[cyclohexane-1,2'(1'H)-quinazolin]-4'(3'H)-oneSpiro(cyclohexane-1,2'(1'H)-quinazolin)-4'(3'H)-oneRefChem:3810301'H-spiro[cyclohexane-1,2'-quinazolin]-4'(3'H)-onespiro[1,3-dihydroquinazoline-2,1'-cyclohexane]-4-oneMFCD020294913',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinazoline]-4'-one3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinazolin]-4'-oneOprea1_300653F0911-2790CHEMBL5281261
Show more names
1H-SPIRO[CYCLOHEXANE-1,2-QUINAZOLIN]-4(3H)-ONEspiro[1,3-dihydroquinazoline-2,1-cyclohexane]-4-one
SCHEMBL29913568DTXSID301225563HMS1622G01AAA95031STK764261STL151756AKOS000674621AKOS005751576
Database identifiers
- CAS
950-31-2- PubChem CID
- 686408
- DTXSID
DTXSID301225563- ChEMBL
CHEMBL5281261- Nikkaji
- J606.308J
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Melting point
- 213 · 213-215 °C
- Boiling point
- 479.3 · 479.3±25.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- 15.76 · 15.76±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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