3-Cyclohexene-1-carboxamide
Basic information
- CAS
4771-81-7- Standard SMILES
NC(=O)C1CC=CCC1- InChIKey
VSCLUBLXOWRBCQ-UHFFFAOYSA-N- Molecular formula
- C7H11NO
- Average molar mass
- 125.17 g/mol
- Monoisotopic mass
- 125.08406397
Names & identifiers
- Preferred name
- 3-Cyclohexene-1-carboxamide
- IUPAC
- cyclohex-3-ene-1-carboxamide
- English name
- Cyclohex-3-ene-1-carboxamide
- Molecular formula
- C7H11NO
- Molecular weight
- 125.17
Names & synonyms
4771-81-73-Cyclohexene-1-carboxamideRefChem:1067655cyclohex-3-ene-1-carboxamidecyclohex-3-enecarboxamideMFCD00218754NSC 176944NSC176944SCHEMBL4612793DTXSID40306492cyclohex-3-enecarboxylic acid amideSBB056263
Show more names
AKOS006243118AB85991NSC-176944DB-070846CS-0238091EN300-189809F655399Z145119476
Database identifiers
- CAS
4771-81-7- PubChem CID
- 301015
- DTXSID
DTXSID40306492- Nikkaji
- J535.833G
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Melting point
- 152 °C · 152 °C
- Boiling point
- 284 · 284.0±20.0 °C(Predicted)
- Density
- 1.059 · 1.059±0.06 g/cm3(Predicted)
- pka
- 16.5 · 16.50±0.20(Predicted)
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Related reactions
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Compound notes
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