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Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a-methoxy-5-methyl-6-(1-pyrrolidinyl)-, carbamate (ester)

HCID 457970
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Basic information

CAS
4349-74-0
Standard SMILES
CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4CCCC4)C3=O)N1C[C@@H]1N[C@@H]12
InChIKey
IWUUZLDYISMSIM-HSVDZBDXSA-N
Molecular formula
C19H24N4O5
Average molar mass
388.4 g/mol
Monoisotopic mass
388.17466988

Names & identifiers

Preferred name
Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a-methoxy-5-methyl-6-(1-pyrrolidinyl)-, carbamate (ester)
IUPAC
[(4S,6S,7R,8S)-7-methoxy-12-methyl-10,13-dioxo-11-pyrrolidin-1-yl-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate

Names & synonyms

4349-74-0Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a-methoxy-5-methyl-6-(1-pyrrolidinyl)-, carbamate (ester)RefChem:1077420NSC 365354(methoxy-methyl-dioxo-pyrrolidin-1-yl-[?]yl)methyl carbamate[(1AS,8S,8aR,8bS)-8a-methoxy-5-methyl-4,7-dioxo-6-pyrrolidin-1-yl-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate

Database identifiers

CAS
4349-74-0
PubChem CID
457970

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
124 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
28
Formal charge
0
Complexity
858

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Compound notes

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