1,3,4,5-Tetrahydropyrano[4,3-b]indole
Basic information
- CAS
784143-97-1- Standard SMILES
c1ccc2c3c([nH]c2c1)CCOC3- InChIKey
BUQKZKMCGKVWEV-UHFFFAOYSA-N- Molecular formula
- C11H11NO
- Average molar mass
- 173.21 g/mol
- Monoisotopic mass
- 173.08406397
Names & identifiers
- Preferred name
- 1,3,4,5-Tetrahydropyrano[4,3-b]indole
- IUPAC
- 1,3,4,5-tetrahydropyrano[4,3-b]indole
- English name
- 1,3,4,5-Tetrahydro-pyrano[4,3-b]indole
- Molecular formula
- C11H11NO
- Molecular weight
- 173.21
Names & synonyms
1,3,4,5-tetrahydropyrano[4,3-b]indole784143-97-11,3,4,5-TETRAHYDRO-PYRANO[4,3-B]INDOLE1H,3H,4H,5H-PYRANO[4,3-B]INDOLESCHEMBL28308244DTXSID80652824AKOS006294116AB26254HS-6195Pyrano[4,3-b]indole, 1,3,4,5-tetrahydro-
Database identifiers
- CAS
784143-97-1- PubChem CID
- 33697207
- DTXSID
DTXSID80652824- Nikkaji
- J2.091.676A
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 25 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Boiling point
- 349.8 · 349.8±32.0 °C(Predicted)
- Density
- 1.239 · 1.239±0.06 g/cm3(Predicted)
- pka
- 16.93 · 16.93±0.20(Predicted)
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Related reactions
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Compound notes
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