(E)-but-2-enedioic acid;10-(cyclobutylmethyl)-11-methyl-3-oxa-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one

HCID 6473779

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Basic information

CAS: 136723-11-0
Standard SMILES: CC1Cn2c(=O)oc3cccc(c32)CN1CC1CCC1.O=C(O)/C=C/C(=O)O
InChIKey: WYCJUCOEOIDDJR-WLHGVMLRSA-N
Molecular formula: C20H24N2O6
Average molar mass: 388.4 g/mol
Monoisotopic mass: 388.16343649

Names & identifiers

Preferred name: (E)-but-2-enedioic acid;10-(cyclobutylmethyl)-11-methyl-3-oxa-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
IUPAC: (E)-but-2-enedioic acid;10-(cyclobutylmethyl)-11-methyl-3-oxa-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one

Names & synonyms

cyclobutylmethyl(methyl)[?]one; fumaric acid136723-11-0DTXSID10424278(+-)-6-(Cyclobutylmethyl)-4,5,6,7-tetrahydro-5-methyl-2H-oxazolo[5,4,3-jk][1,4]benzodiazepin-2-one & (E)-2-Butenedioate(2E)-But-2-enedioic acid--6-(cyclobutylmethyl)-5-methyl-4,5,6,7-tetrahydro-2H-[1,3]oxazolo[5,4,3-jk][1,4]benzodiazepin-2-one (1/1)2H-Oxazolo[5,4,3-jk][1,4]benzodiazepin-2-one, 6-(cyclobutylmethyl)-4,5,6,7-tetrahydro-5-methyl- & (2E)-2-butenedioate (1:1)

Database identifiers

CAS: 136723-11-0
PubChem CID: 6473779
DTXSID: DTXSID10424278

Properties

Computed structural properties

Topological polar surface area: 107 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 28
Formal charge: 0
Complexity: 515

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