2,3,3a,4,5,6-Hexahydropentalene-1-carboxamide
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Basic information
- CAS
90642-79-8- Standard SMILES
NC(=O)C1=C2CCCC2CC1- InChIKey
YDGUXEOBRKSUEJ-UHFFFAOYSA-N- Molecular formula
- C9H13NO
- Average molar mass
- 151.21 g/mol
- Monoisotopic mass
- 151.09971404
Names & identifiers
- Preferred name
- 2,3,3a,4,5,6-Hexahydropentalene-1-carboxamide
- IUPAC
- 2,3,3a,4,5,6-hexahydropentalene-1-carboxamide
- English name
- 1-Pentalenecarboxamide,2,3,3a,4,5,6-hexahydro-(7CI)
- Molecular formula
- C9H13NO
- Molecular weight
- 151.20562
Names & synonyms
1-Pentalenecarboxamide,2,3,3a,4,5,6-hexahydro-(7CI)
Database identifiers
- CAS
90642-79-8- PubChem CID
- 45084304
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 230
Related reactions
0 records
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Compound notes
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