4-(1-Methyl-2-morpholin-4-yl-4-nitro-2,3-dihydropyrrol-3-yl)morpholine
Basic information
- CAS
83831-98-5- Standard SMILES
CN1C=C([N+](=O)[O-])C(N2CCOCC2)C1N1CCOCC1- InChIKey
WIPHEVQVFWCNMF-UHFFFAOYSA-N- Molecular formula
- C13H22N4O4
- Average molar mass
- 298.34 g/mol
- Monoisotopic mass
- 298.1641052
Names & identifiers
- Preferred name
- 4-(1-Methyl-2-morpholin-4-yl-4-nitro-2,3-dihydropyrrol-3-yl)morpholine
- IUPAC
- 4-(1-methyl-2-morpholin-4-yl-4-nitro-2,3-dihydropyrrol-3-yl)morpholine
Names & synonyms
83831-98-5NSC3723204-(1-methyl-2-morpholin-4-yl-4-nitro-2,3-dihydropyrrol-3-yl)morpholineDTXSID50331134NSC-3723204,4'-(1-Methyl-4-nitro-2,3-dihydro-1H-pyrrole-2,3-diyl)bis(morpholine)
Database identifiers
- CAS
83831-98-5- PubChem CID
- 435569
- DTXSID
DTXSID50331134
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 74 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 413
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Compound notes
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