Basic information
- CAS
136723-16-5- Standard SMILES
CCCN1Cc2cccc3c2N(CC1C)C(=O)C3.O=C(O)/C=C/C(=O)O- InChIKey
YDSOPNBKAVQFJG-WLHGVMLRSA-N- Molecular formula
- C19H24N2O5
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.16852187
Names & identifiers
- Preferred name
- (E)-but-2-enedioic acid;11-methyl-10-propyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-2-one
- IUPAC
- (E)-but-2-enedioic acid;11-methyl-10-propyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-2-one
Names & synonyms
fumaric acid; methyl(propyl)[?]one136723-16-5DTXSID70424279(+-)-1,2,3,4-Tetrahydro-3-methyl-2-propylpyrrolo[3,2,1-jk][1,4]benzodiazepin-6(7H)-one & (E)-2-Butenedioate(2E)-But-2-enedioic acid--3-methyl-2-propyl-1,2,3,4-tetrahydro[1,4]diazepino[6,7,1-hi]indol-6(7H)-one (1/1)Pyrrolo[3,2,1-jk][1,4]benzodiazepin-6(7H)-one, 1,2,3,4-tetrahydro-3-methyl-2-propyl-, & (2E)-2-butenedioate
Database identifiers
- CAS
136723-16-5- PubChem CID
- 6473780
- DTXSID
DTXSID70424279
Properties
Computed structural properties
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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