2-imino-6-methoxy-2H-chromene-3-carboxamide
Basic information
- CAS
71586-41-9- Standard SMILES
COc1ccc2oc(=N)c(C(N)=O)cc2c1- InChIKey
KTWIQSNWSCNJOI-UHFFFAOYSA-N- Molecular formula
- C11H10N2O3
- Average molar mass
- 218.21 g/mol
- Monoisotopic mass
- 218.06914219
Names & identifiers
- Preferred name
- 2-imino-6-methoxy-2H-chromene-3-carboxamide
- IUPAC
- 2-imino-6-methoxychromene-3-carboxamide
Names & synonyms
2-imino-6-methoxy-2H-chromene-3-carboxamide71586-41-9DTXSID10327912RefChem:262048DTXCID102790232H-1-Benzopyran-3-carboxamide, 2-imino-6-methoxy-2-imino-6-methoxychromene-3-carboxamideHMS1481D03NSC701068ChemDiv3_0028852-Imino-6-methoxy-2H-1-benzopyran-3-carboxamideOprea1_449633
Show more names
Oprea1_551437CHEMBL1987711AKOS003616239NSC-701068NCI60_036318AE-848/32605029SR-01000082169SR-01000082169-1
Database identifiers
- CAS
71586-41-9- PubChem CID
- 395944
- DTXSID
DTXSID10327912- ChEMBL
CHEMBL1987711- Nikkaji
- J940.664F
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 85.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 351
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Compound notes
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